data_2k2j_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 2k2j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.819 0.342 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' A' ' 34' ' ' ALA . 48.6 mt-30 -134.08 146.91 50.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.91 -143.19 7.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.423 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -119.82 153.41 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.55 175.74 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -125.22 138.31 54.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.03 0.443 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.459 ' HE3' HG11 ' A' ' 97' ' ' VAL . 78.7 mtp -133.42 137.31 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.433 ' HZ2' HE21 ' A' ' 26' ' ' GLN . 43.8 t-105 -57.2 125.51 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.38 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -117.17 99.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.481 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -71.7 -6.37 40.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -66.0 -42.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.272 0.558 . . . . 0.0 109.635 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.45 2.49 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.67 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.433 HE21 ' HZ2' ' A' ' 21' ' ' TRP . 3.2 mt-30 50.24 69.94 0.56 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.987 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -167.47 177.49 5.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.939 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -109.45 115.61 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -106.07 168.43 9.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -94.73 126.27 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -123.0 144.1 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -89.69 95.83 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.092 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' HD11 ' A' ' 40' ' ' LEU . 96.7 m -90.52 160.68 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.582 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.88 118.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.598 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -88.73 125.77 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.369 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 121.26 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 65.2 -81.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.33 13.67 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.469 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 99.2 mttt -122.9 160.3 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.342 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 33' ' ' CYS . 31.6 tp -123.4 117.61 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 p -108.5 125.98 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.401 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -113.59 134.55 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -93.34 164.32 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.365 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.77 166.03 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.45 132.0 2.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.189 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.96 1.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.7 tpm_? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.065 0.46 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.08 151.97 12.95 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.96 138.37 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.5 mm? -101.23 110.92 23.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.971 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.5 m-20 -52.35 -26.98 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 98.0 mt 60.56 7.45 1.37 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.276 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.87 -9.53 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.354 179.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -141.31 57.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -149.59 171.51 16.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.548 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -139.49 131.24 27.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.5 t -96.2 134.81 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 111.298 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.8 OUTLIER -139.16 120.63 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.79 104.34 3.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . -76.14 120.7 82.84 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.18 155.54 42.11 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.943 2.429 . . . . 0.0 112.282 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 56.88 13.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.75 -168.42 3.71 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.572 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' H ' ' HB2' ' A' ' 81' ' ' LYS . 36.7 mtpt -145.11 137.83 26.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 54.46 82.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.294 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.23 17.1 6.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.177 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.491 ' HB2' ' H ' ' A' ' 78' ' ' LYS . 71.8 mmtt -113.5 167.63 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.485 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.0 t -124.2 -25.75 4.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.617 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.89 105.54 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 100' ' ' ALA . 27.0 t -133.09 150.94 33.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 21.2 m-85 -129.6 135.05 48.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.215 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.536 HG12 ' HG3' ' A' ' 98' ' ' GLU . 70.8 mt -113.86 138.63 43.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -100.04 130.47 46.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.28 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.7 mt-10 -117.63 107.09 45.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.687 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.438 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 14.9 Cg_endo -56.18 152.96 35.29 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.553 2.169 . . . . 0.0 112.414 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.3 mtpt -121.58 3.32 10.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.495 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.487 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 8.2 tp-100 -61.81 -62.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.08 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.13 31.8 2.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.72 158.95 81.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.566 0.222 . . . . 0.0 110.615 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.27 153.31 14.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 112.895 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -83.82 168.14 12.56 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.891 2.394 . . . . 0.0 112.196 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 HG11 ' HE3' ' A' ' 20' ' ' MET . 44.3 t -136.57 131.71 47.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.335 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.536 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.08 141.8 31.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 84' ' ' VAL . 41.8 m-85 -130.31 158.38 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.414 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -159.21 162.28 36.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.023 0.44 . . . . 0.0 111.77 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.449 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 38.7 p -135.74 -173.59 3.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.716 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.48 7.47 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -146.51 160.6 41.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.41 -33.82 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.152 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.01 -50.24 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.42 -32.36 70.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.017 0.437 . . . . 0.0 110.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.9 tp -66.73 -56.33 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.5 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.98 -27.7 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.659 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.39 -58.08 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -68.63 -41.08 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.486 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 32.1 m-85 -75.02 -30.92 61.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.74 -33.0 71.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.0 t -68.72 -46.81 67.95 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.126 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.2 -34.49 45.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 87.3 mtt180 -76.37 -31.6 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.21 -19.75 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.469 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.1 mt -108.54 -32.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.555 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.412 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 66.1 p -98.5 -62.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.342 . . . . 0.0 111.297 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.634 ' HB2' HD11 ' A' ' 35' ' ' ILE . 11.4 mm100 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.628 0.251 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 80.0 mt-30 -125.15 133.08 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.85 -132.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.452 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -130.19 139.67 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.997 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.47 160.3 42.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -106.81 145.21 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 mtm -141.25 139.31 33.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -57.94 123.63 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -107.38 104.12 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 p -78.83 -1.68 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.363 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.7 mp -75.46 -45.31 40.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 110.225 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.79 0.18 11.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.011 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 54.2 72.74 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.743 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -171.46 176.48 3.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.849 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -105.28 129.39 53.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.6 p -124.44 165.64 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -94.67 122.31 37.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -117.55 163.09 16.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -109.01 97.6 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.852 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.5 m -87.53 162.42 17.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.812 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.36 113.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.705 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 14' ' ' GLN . 67.4 mt -88.92 113.15 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.222 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.38 122.78 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 63.68 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.33 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.36 7.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.403 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.7 mttt -119.38 158.82 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.193 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.0 tp -120.99 117.61 27.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -108.74 120.28 42.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.994 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -105.23 132.69 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.616 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.8 m -95.38 176.94 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.49 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 4.9 p-10 -66.98 165.21 16.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.42 151.19 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -101.97 -4.16 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.49 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 33.4 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.955 0.407 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.8 151.04 5.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.995 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 46.6 mt -138.89 141.17 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 111.448 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -103.01 110.58 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 p30 -51.25 -29.08 13.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.3 mt 62.19 4.22 1.18 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.637 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.28 -8.42 21.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.923 0.392 . . . . 0.0 110.305 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 78.4 p -143.34 61.61 1.39 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.92 171.34 17.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 49.3 m-80 -138.29 131.13 29.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -96.14 132.34 40.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.904 0.383 . . . . 0.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -138.32 120.95 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -75.72 104.68 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.521 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 84' ' ' VAL . . . -74.39 120.87 83.59 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.265 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.04 -70.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.934 2.423 . . . . 0.0 112.849 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -55.11 -21.42 12.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.19 -162.96 12.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.227 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' ' 86' ' ' ILE . 20.1 mmmt -138.52 -28.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -141.5 -83.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -127.3 7.21 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.77 -173.92 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.981 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t -128.38 -54.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.948 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.406 ' CB ' HD11 ' A' ' 107' ' ' LEU . 5.0 m-85 -92.37 92.43 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.65 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 67.9 t -117.91 155.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 111.894 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 27.8 m-85 -136.11 125.12 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.193 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.534 HG12 ' HG3' ' A' ' 98' ' ' GLU . 57.2 mt -106.5 138.12 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.3 mt -99.97 128.28 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.303 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.2 mt-10 -114.68 104.97 54.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.73 152.02 59.58 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.42 2.08 . . . . 0.0 112.553 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -115.98 1.4 13.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.355 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 49.2 tt0 -97.46 129.66 44.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 43.8 -92.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.797 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.84 33.35 0.44 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.771 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -50.57 160.85 0.7 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 110.95 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.1 156.65 11.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.747 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.68 168.1 14.44 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.789 2.326 . . . . 0.0 112.299 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.67 129.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.534 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.6 mp0 -96.52 141.34 29.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.924 0.392 . . . . 0.0 111.324 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' O ' HG11 ' A' ' 84' ' ' VAL . 32.6 m-85 -130.69 156.97 44.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.465 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.08 147.83 18.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 111.822 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.46 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 62.6 p -118.08 -172.54 2.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.709 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.12 -9.32 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 61.5 mtt180 -139.39 161.59 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.46 -28.17 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.25 -52.99 18.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 103' ' ' ARG . 7.4 mt-10 -60.45 -30.64 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.228 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 2.7 tp -66.97 -56.76 8.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.51 -28.01 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.574 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.442 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -74.85 -58.37 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -69.11 -49.32 58.14 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 40.5 m-85 -67.13 -42.56 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.4 tp60 -60.93 -35.29 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.424 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -68.56 -45.92 70.83 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.022 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.86 -33.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 88.0 mtt180 -76.09 -36.04 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.588 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 35.1 mt-10 -59.64 -17.86 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.441 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.46 -21.75 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -113.01 -57.25 2.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.766 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 4.5 m95 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.04 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 13.7 mm100 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.949 0.404 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.05 137.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 170.41 -135.74 3.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.49 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -128.63 132.74 48.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.77 172.06 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -121.96 136.89 54.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.5 mtm -133.39 141.01 47.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -57.29 131.17 49.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.518 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -115.02 100.44 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.368 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.5 p -72.33 -7.95 52.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.388 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.6 -55.61 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.491 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -108.25 -0.01 21.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.64 68.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.572 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -170.23 176.65 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.669 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -103.49 134.25 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -121.26 169.0 11.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -97.9 122.31 40.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -120.58 160.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -109.85 96.02 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.747 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.55 ' HB3' HD12 ' A' ' 40' ' ' LEU . 85.0 m -89.01 162.91 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.861 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.81 116.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.587 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -88.77 136.84 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.318 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.14 134.54 2.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.29 41.32 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.498 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 60.56 22.54 12.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.434 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 27.7 mtmt -131.69 135.68 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 33' ' ' CYS . 28.5 tp -107.44 117.04 33.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -111.7 116.45 30.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.051 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -103.94 133.0 49.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.2 p -89.25 161.63 16.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.71 165.6 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -45.88 142.52 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -103.2 -28.06 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.678 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.35 -179.723 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.938 0.399 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.81 166.47 36.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.432 HG21 ' HD2' ' A' ' 39' ' ' LYS . 62.6 mt -141.5 139.22 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.512 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.3 mm? -107.76 107.99 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.859 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.3 t70 -55.77 -22.15 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.392 . . . . 0.0 110.661 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.0 mt 61.25 9.87 2.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.387 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -109.08 -6.85 15.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.0 p -139.45 53.25 1.72 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.427 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -151.49 169.31 22.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.557 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.4 m-20 -137.83 131.74 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.28 133.9 35.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.864 0.364 . . . . 0.0 111.096 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -136.74 120.87 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.26 104.67 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.417 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.27 120.79 82.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.321 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 83.9 Cg_endo -78.11 -52.77 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.791 2.327 . . . . 0.0 113.044 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 65.3 mt-30 -79.92 11.01 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.731 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 -140.2 29.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.298 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -149.89 -59.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -136.92 102.57 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 58.64 14.79 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.405 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -115.97 164.24 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.47 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -114.32 -51.46 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' A' ' 107' ' ' LEU . 11.5 m-85 -98.36 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.6 t -132.65 152.6 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 111.748 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.442 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.9 m-85 -133.7 122.82 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.544 HG12 ' HG3' ' A' ' 98' ' ' GLU . 64.2 mt -103.28 139.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 mt -100.81 130.93 46.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.164 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.0 mt-10 -117.32 111.14 40.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.031 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.484 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 33.5 Cg_endo -61.19 132.5 41.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.553 2.169 . . . . 0.0 112.326 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -87.03 5.44 37.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.684 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.54 -7.3 55.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.499 ' C ' ' H ' ' A' ' 94' ' ' ASP . 19.8 mt-30 63.24 152.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.621 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.81 -23.78 0.83 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.9 156.36 84.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.561 0.219 . . . . 0.0 110.657 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -84.64 152.35 11.67 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.849 2.366 . . . . 0.0 113.075 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.83 168.32 10.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.908 2.406 . . . . 0.0 112.217 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.4 t -132.47 120.89 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.544 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -91.31 143.62 26.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.335 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 84' ' ' VAL . 44.3 m-85 -130.29 157.99 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.639 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.17 154.37 27.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 111.78 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.4 p -127.65 -172.26 2.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.39 3.19 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -146.44 158.99 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.721 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.9 -30.13 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.799 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.08 -51.99 22.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.36 -27.8 66.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.47 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.8 tp -66.63 -56.71 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.024 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.84 -27.42 67.53 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.561 -179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -72.61 -58.14 3.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.851 0.358 . . . . 0.0 111.819 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.411 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 19.1 m95 -68.31 -49.15 62.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.47 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 32.9 m-85 -67.34 -36.08 80.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -65.47 -33.81 76.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 m -68.6 -45.64 71.43 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.99 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.84 -35.56 51.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 74.9 mtt180 -76.36 -29.06 57.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.406 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.8 -18.94 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.517 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 38' ' ' ALA . 84.2 mt -108.3 -31.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.433 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 72.3 p -99.68 -61.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 111.204 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.442 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 33.8 tt0 -147.46 140.94 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.55 -139.61 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -126.13 144.19 50.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -146.89 168.8 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -115.05 143.61 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.467 ' HE3' HG11 ' A' ' 97' ' ' VAL . 79.1 mtp -137.18 140.31 41.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.699 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -63.29 113.37 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.201 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.53 108.35 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.85 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -82.2 8.03 12.11 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.566 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.7 mt -105.83 -28.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.68 -1.22 12.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.56 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.6 mp0 43.41 61.66 2.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.666 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -166.67 -171.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.142 -179.34 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -113.45 108.59 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.528 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.3 p -102.57 167.67 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -100.05 133.51 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -89.17 96.85 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.7 m -84.75 154.15 22.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.804 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -166.79 116.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.367 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -88.28 124.25 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.35 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.04 130.16 51.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.77 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.13 11.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.1 mttt -125.97 173.51 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.5 tp -121.98 117.79 27.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.484 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 p -101.5 109.39 21.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -101.26 142.66 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -88.01 173.54 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.4 p30 -76.88 165.28 24.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.636 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.67 126.81 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.556 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 pt -100.02 -27.85 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.675 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.7 tpt180 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.07 13.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.242 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.29 138.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 tp -109.6 100.46 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.384 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.4 m-20 -59.54 100.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -77.72 26.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.178 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 16.5 m120 -112.87 -6.34 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.6 p -141.18 58.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -152.88 171.13 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.7 m-20 -137.33 128.28 27.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.912 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.95 128.79 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 111.314 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -130.55 135.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.71 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -86.32 110.97 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.24 120.11 69.76 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.182 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 86.2 Cg_endo -79.94 -64.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.872 2.381 . . . . 0.0 113.512 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.599 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 18.4 mt-30 -59.49 -12.61 6.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.09 163.5 6.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.088 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.579 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 24.4 ttmm -122.01 160.29 25.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.756 0.312 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 m120 65.99 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.214 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -148.49 12.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -98.4 177.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.329 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.2 p -116.09 -58.82 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.933 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.83 101.99 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.64 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.94 147.76 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 112.003 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 10.2 m-85 -127.17 123.97 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.9 mt -99.35 142.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.181 0.515 . . . . 0.0 112.3 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.9 mt -104.67 130.4 52.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.291 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.3 mt-10 -116.26 111.22 42.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.838 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -60.1 131.2 37.82 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.582 2.188 . . . . 0.0 112.201 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -87.46 11.16 15.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.696 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.88 -67.43 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.86 -67.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.21 23.67 2.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.141 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -63.19 163.86 16.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.577 0.227 . . . . 0.0 110.824 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 93.9 Cg_endo -76.35 148.44 30.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.888 2.392 . . . . 0.0 113.152 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.22 168.33 7.64 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.941 2.427 . . . . 0.0 112.175 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.467 HG11 ' HE3' ' A' ' 20' ' ' MET . 23.5 t -132.77 126.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.579 ' HG2' ' HD2' ' A' ' 78' ' ' LYS . 1.5 mp0 -95.01 144.67 25.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.41 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -132.34 147.14 52.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.71 153.19 38.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 111.805 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.467 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 44.7 p -123.11 -171.66 2.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.866 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.35 -2.17 10.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -144.43 164.61 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 p -78.26 -31.64 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.23 -54.12 12.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.07 -25.48 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.154 0.502 . . . . 0.0 109.87 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 5.5 tp -66.94 -57.52 6.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.29 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.554 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.0 t80 -70.5 -33.53 71.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.532 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.86 -57.78 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.418 . . . . 0.0 111.434 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -66.99 -39.15 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.242 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 11.6 m-85 -75.15 -30.43 60.75 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -68.0 -37.11 81.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.6 t -67.8 -45.07 75.84 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.85 -35.67 52.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 79.1 mtt180 -76.42 -28.65 56.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.438 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 113' ' ' SER . 23.8 mt-10 -60.41 -22.29 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.399 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.32 -32.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.717 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.8 p -96.2 -60.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 63.9 t-105 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.074 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -135.7 152.69 51.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.67 -125.32 1.35 Allowed Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.57 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -126.52 163.02 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 111.052 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.84 158.08 22.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -113.63 135.25 54.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.1 mtm -131.12 138.07 49.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -57.96 119.28 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.322 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -102.29 104.57 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 p -78.84 -1.56 35.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -75.71 -44.11 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.49 0.16 10.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 53.66 72.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.478 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.52 175.66 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.13 120.04 40.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.418 ' HG1' ' HE2' ' A' ' 31' ' ' HIS . 44.1 p -113.83 168.74 9.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -91.76 127.48 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' HE2' ' HG1' ' A' ' 29' ' ' THR . 59.9 m-70 -123.52 143.61 50.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -97.92 99.93 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.037 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 40' ' ' LEU . 79.9 m -93.9 166.04 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.692 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.52 115.92 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.652 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.4 mt -88.68 139.67 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.397 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.76 122.03 12.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 64.15 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.67 24.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.359 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.622 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 87.4 mttt -134.35 142.11 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.771 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.7 tp -107.78 117.38 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.158 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -109.63 124.75 51.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -109.58 143.44 39.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.745 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -100.44 171.6 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.002 0.43 . . . . 0.0 111.375 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 20.5 t70 -69.14 165.87 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.742 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -43.08 139.04 1.92 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.538 HG13 ' HG2' ' A' ' 47' ' ' GLU . 42.5 pt -96.53 -5.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.617 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' HG13 ' A' ' 46' ' ' ILE . 8.1 pt-20 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.317 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.7 mmm180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.16 160.5 34.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.9 mt -143.81 125.47 10.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 0.0 111.534 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.99 106.67 18.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.005 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.622 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.0 m-20 -54.07 -23.42 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.57 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt 63.95 0.53 0.97 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.261 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.3 m120 -104.79 -3.45 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.19 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -140.75 41.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -149.42 171.17 17.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.022 0.439 . . . . 0.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 90.4 m-20 -142.16 119.15 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.268 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.16 125.85 47.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.236 0.541 . . . . 0.0 111.266 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.482 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -123.87 153.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.105 -179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -95.82 105.02 16.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.49 121.16 70.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -81.0 168.77 16.93 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.967 2.445 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 55.49 21.09 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.32 -144.1 40.3 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.387 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.22 -45.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -121.13 -79.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -123.97 15.03 9.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -97.84 -176.57 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.348 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -125.47 -30.77 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.941 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.459 ' HB2' HD11 ' A' ' 107' ' ' LEU . 27.6 m-85 -126.22 108.23 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.629 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.484 HG22 ' HB1' ' A' ' 100' ' ' ALA . 53.1 t -131.87 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.526 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.2 m-85 -116.51 161.38 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.482 ' HB ' HG22 ' A' ' 72' ' ' VAL . 67.3 mt -136.51 137.36 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.2 mt -99.67 130.7 45.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 39.8 mt-10 -118.36 107.82 42.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.547 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.9 Cg_endo -55.69 153.53 29.66 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.469 2.113 . . . . 0.0 112.477 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -122.62 2.04 9.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.478 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.5 tp-100 -64.65 -73.36 0.12 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.24 -80.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 34.04 2.67 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.66 159.92 75.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.512 0.196 . . . . 0.0 110.639 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.03 153.99 11.16 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.767 2.311 . . . . 0.0 112.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.43 168.14 14.88 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.831 2.354 . . . . 0.0 112.167 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -137.36 125.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.77 0.319 . . . . 0.0 111.347 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.1 mp0 -94.67 141.28 28.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -129.49 156.82 43.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.484 ' HB1' HG22 ' A' ' 84' ' ' VAL . . . -159.39 165.16 33.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.067 0.46 . . . . 0.0 111.883 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 p -136.95 -171.37 2.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.84 5.22 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.38 153.76 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.695 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.99 -31.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.19 -50.16 36.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.59 -33.17 73.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.413 . . . . 0.0 110.061 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.48 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.4 tp -64.2 -56.23 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.307 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.486 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.44 -27.57 68.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.318 -179.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -72.86 -58.08 3.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -68.48 -48.09 65.36 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -67.78 -30.57 70.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -69.41 -36.39 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -66.22 -50.08 65.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.347 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.12 -35.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -77.01 -27.93 54.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.721 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 113' ' ' SER . 22.2 mt-10 -57.91 -23.82 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.533 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 117' ' ' ILE . 3.6 mp -93.84 -40.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.671 0.272 . . . . 0.0 111.645 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.5 p -94.18 -65.14 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.3 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.793 0.33 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -144.35 133.8 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.349 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.37 -125.73 1.1 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.714 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -137.5 148.12 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.049 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -148.54 170.44 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -116.05 138.5 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.0 mtp -131.8 139.24 48.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -58.32 120.93 9.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.539 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.8 105.58 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -81.67 8.68 9.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.374 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.35 -43.41 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.029 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.6 1.33 31.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.81 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.3 mp0 45.13 60.77 2.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.884 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -170.86 -178.37 2.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.748 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -104.54 142.11 35.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.4 p -134.13 165.0 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.877 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -93.31 124.06 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -121.72 145.68 47.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 78.4 t80 -91.57 99.23 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' HB3' HD13 ' A' ' 40' ' ' LEU . 72.4 m -93.53 160.16 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.674 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.26 114.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.386 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 14' ' ' GLN . 95.3 mt -88.38 108.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.343 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.36 124.85 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.23 -84.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HD11 ' A' ' 66' ' ' LEU . . . -145.04 6.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.422 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 66.0 mttm -116.11 145.85 42.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.221 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 33' ' ' CYS . 15.4 tp -107.57 116.3 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -105.82 118.13 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 111.212 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -104.29 130.73 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 95.0 p -95.66 177.18 5.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.255 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.02 165.18 24.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -53.46 149.41 7.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.6 pt -110.65 2.3 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.334 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.2 mmp_? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.916 0.388 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.14 157.53 25.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.96 140.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.531 HD21 HD12 ' A' ' 87' ' ' LEU . 8.9 tp -101.85 99.33 9.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.873 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.0 m-20 -51.52 -29.88 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 68' ' ' THR . 96.6 mt 55.39 -170.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.474 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 63.93 -2.86 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 ' H ' ' C ' ' A' ' 66' ' ' LEU . 12.8 t -138.78 15.12 2.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.259 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.39 170.99 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.773 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 92.0 m-20 -134.72 117.14 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.679 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.47 143.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.16 0.505 . . . . 0.0 111.044 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.508 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -139.04 120.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.865 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -68.67 104.6 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.14 121.09 75.47 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.685 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.4 151.46 22.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.005 2.47 . . . . 0.0 112.518 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 54.15 21.72 3.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.8 -153.7 19.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.354 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 39.2 ttpt -139.31 -44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' ND2' ' HE3' ' A' ' 78' ' ' LYS . 42.3 m-80 -134.42 104.38 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 57.51 12.94 1.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.326 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -119.51 163.75 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.6 m -122.37 -27.22 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.528 ' HB3' HD13 ' A' ' 107' ' ' LEU . 10.2 m-85 -121.64 99.29 6.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 99' ' ' PHE . 55.1 t -131.16 146.35 33.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 111.813 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.498 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.4 m-85 -125.16 124.42 41.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.479 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.568 HG12 ' HG3' ' A' ' 98' ' ' GLU . 74.0 mt -99.44 138.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 111.771 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.531 HD12 HD21 ' A' ' 64' ' ' LEU . 99.0 mt -102.41 135.31 44.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.442 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.5 mt-10 -123.3 104.14 35.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.6 Cg_endo -59.28 156.23 36.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.501 2.134 . . . . 0.0 112.514 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -125.69 1.9 7.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.432 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.3 mt-30 -55.71 -57.21 12.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.2 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.54 34.9 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.233 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -71.02 158.5 88.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.562 0.22 . . . . 0.0 110.696 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.49 155.33 16.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.241 . . . . 0.0 112.73 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.41 167.51 19.19 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.679 2.253 . . . . 0.0 112.219 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 t -138.87 121.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.296 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -92.1 145.57 24.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.43 ' O ' HG12 ' A' ' 84' ' ' VAL . 32.4 m-85 -132.42 160.62 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.528 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.96 165.12 35.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.758 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -138.02 -179.34 5.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.51 -14.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -142.86 172.6 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 p -78.22 -28.53 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.57 -49.51 58.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.96 -24.5 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.101 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 83' ' ' PHE . 3.9 tp -70.23 -56.99 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.012 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.21 -27.51 66.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.475 -179.262 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.38 -57.85 3.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.915 0.388 . . . . 0.0 111.795 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -70.49 -45.46 65.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 27.4 m-85 -70.45 -30.96 67.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -69.93 -37.83 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -68.2 -42.11 80.38 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.11 -33.21 46.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 78.1 mtt180 -76.18 -33.91 59.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.841 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.29 -18.61 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.13 -36.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.521 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.0 p -98.08 -61.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.8 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.104 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 9.2 tt0 -147.27 142.35 27.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.55 -130.01 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.367 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.61 162.13 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.36 155.58 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.59 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -108.9 133.7 52.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.0 111.27 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.48 ' HE1' HG11 ' A' ' 97' ' ' VAL . 82.9 mtp -127.23 149.66 49.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.562 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -64.45 125.34 24.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.506 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -101.97 105.45 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.065 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 t -81.3 8.58 8.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.567 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.3 mt -103.18 -50.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.983 0.42 . . . . 0.0 110.109 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.88 3.29 47.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.0 mp0 44.62 62.16 2.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.48 -174.11 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.911 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -103.34 136.84 42.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.2 p -127.05 166.29 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.873 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -89.88 128.47 36.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -126.94 132.72 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -86.85 95.81 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 40' ' ' LEU . 86.4 m -86.84 159.24 19.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 112.083 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -167.15 115.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.065 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.9 mt -88.11 112.73 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.075 0.464 . . . . 0.0 111.598 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.62 124.06 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.697 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 62.99 -84.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.02 -5.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.838 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 91.8 mttt -107.46 159.82 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.189 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 33' ' ' CYS . 22.9 tp -108.19 117.65 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -104.84 108.97 20.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -101.1 137.86 38.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -95.13 166.99 11.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 3.9 p30 -64.35 165.26 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -47.95 133.29 14.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -80.57 -23.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.074 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.467 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 31.0 tpt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.964 0.412 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.17 153.45 19.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.33 142.46 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 tp -116.38 100.28 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 67' ' ' ASN . 2.9 m-20 -56.51 98.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.18 23.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.251 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.0 m120 -113.14 -3.36 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.609 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.6 p -143.0 56.11 1.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -151.01 171.21 17.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.4 m-80 -136.13 129.36 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.159 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.8 t -96.14 130.17 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 0.0 111.143 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.51 132.01 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 1.4 tmmt? -80.97 108.67 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 121.17 67.0 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.538 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.81 166.09 19.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.782 2.321 . . . . 0.0 112.797 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 76' ' ' GLN . 17.6 mt-30 55.65 21.02 4.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.14 -143.72 36.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.298 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HE3' HD13 ' A' ' 86' ' ' ILE . 15.6 tppt? -146.93 -58.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -103.16 -66.87 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -139.58 12.6 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.297 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.21 -173.44 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.208 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 t -124.42 -31.53 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.415 ' HB2' HD11 ' A' ' 107' ' ' LEU . 17.8 m-85 -123.56 106.06 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.951 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 78' ' ' LYS . 56.1 t -129.81 144.1 39.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 111.849 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -125.91 127.49 46.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.531 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.536 HG12 ' HG3' ' A' ' 98' ' ' GLU . 77.4 mt -100.0 144.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.165 0.507 . . . . 0.0 112.061 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.0 mt -107.63 129.96 54.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.335 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.0 mt-10 -114.78 108.85 48.31 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.8 Cg_endo -58.67 153.4 49.61 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.617 2.211 . . . . 0.0 112.777 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -123.55 2.34 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.523 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 31.7 mt-30 -58.82 -56.09 26.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -76.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.23 36.59 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -73.16 160.06 83.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.535 0.207 . . . . 0.0 110.782 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.48 154.88 14.02 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.718 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.65 167.83 16.55 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.78 2.32 . . . . 0.0 112.265 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG11 ' HE1' ' A' ' 20' ' ' MET . 41.2 t -137.48 133.15 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.536 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.26 140.55 33.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -128.57 158.69 37.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.326 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.13 156.2 28.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.918 0.39 . . . . 0.0 111.97 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.419 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 37.2 p -124.0 -168.05 1.73 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -123.14 -3.62 8.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -143.18 171.83 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -45.13 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.224 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.38 -46.21 81.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.39 -35.68 76.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.496 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.6 tp -63.39 -56.01 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.976 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.622 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 12.3 m-85 -63.88 -27.05 68.89 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.579 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -75.19 -57.88 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -67.96 -40.25 83.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 15.8 m-85 -75.3 -30.39 60.35 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.622 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 12.0 tt0 -66.92 -40.48 87.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 86.6 p -65.84 -48.32 72.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.74 -35.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 75.9 mtt180 -76.59 -30.53 57.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.477 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 28.6 mt-10 -60.83 -20.55 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.415 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.1 mt -108.64 -31.47 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -98.88 -62.06 1.29 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 111.444 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.0 t-105 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.249 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.518 ' HB2' HD12 ' A' ' 35' ' ' ILE . 12.9 mm100 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.466 HE21 ' HB3' ' A' ' 34' ' ' ALA . 42.4 mt-30 -127.69 132.43 49.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 -130.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.38 147.59 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 6.7 mt -146.66 168.89 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.54 115.08 16.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.746 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.508 ' HE3' HG11 ' A' ' 97' ' ' VAL . 48.1 mtp -111.06 145.16 39.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.518 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 45.1 t-105 -64.84 109.62 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.656 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.24 100.76 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t -73.34 0.54 11.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.922 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.8 mm -88.25 -61.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.66 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.09 -5.56 47.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 7.9 mp0 57.83 72.75 0.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.556 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -170.04 171.17 7.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -94.6 112.31 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -99.9 139.92 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -89.68 121.67 32.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.547 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.48 139.88 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.383 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -76.29 100.24 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.232 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.546 ' HB3' HD12 ' A' ' 40' ' ' LEU . 52.3 m -84.46 159.8 20.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB3' HE21 ' A' ' 15' ' ' GLN . . . -164.9 116.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.561 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 14' ' ' GLN . 90.7 mt -88.28 115.37 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.265 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.32 117.46 34.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.621 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.41 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 117' ' ' ILE . . . -138.89 -23.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.624 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 56.4 mttp -90.01 167.29 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.493 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 33' ' ' CYS . 46.1 tp -116.77 146.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.227 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 p -130.94 115.11 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -101.61 133.31 46.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.725 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -92.05 163.58 13.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -61.71 165.03 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.612 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.27 130.91 27.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 pt -93.86 8.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.939 0.4 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.27 165.86 34.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 73.7 mt -132.97 141.46 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -117.26 93.38 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.195 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 1.4 p-10 -57.75 104.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -82.62 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -109.67 16.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.9 t -165.26 24.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.541 ' HB3' HD21 ' A' ' 87' ' ' LEU . 9.8 m-85 -114.92 171.46 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.941 0.4 . . . . 0.0 110.787 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.6 m-20 -130.96 126.64 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.174 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' HB ' ' HG2' ' A' ' 115' ' ' ARG . 25.1 t -95.93 137.12 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -139.23 123.59 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.882 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -75.58 104.87 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.724 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -79.45 120.81 81.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_endo -81.68 -64.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.101 2.534 . . . . 0.0 113.026 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -52.23 -21.49 3.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.362 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.77 -152.31 17.79 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.596 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 14.3 tppt? -151.11 -70.9 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 0.0 111.322 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -121.07 90.21 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.53 13.28 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -104.57 163.74 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.167 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.5 p -108.44 -41.92 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.427 ' CB ' HD11 ' A' ' 107' ' ' LEU . 6.0 m-85 -110.28 109.7 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.422 HG12 ' HB2' ' A' ' 78' ' ' LYS . 45.8 t -133.35 148.94 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.588 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 15.4 m-85 -130.35 121.72 26.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.0 mt -99.93 141.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.127 0.489 . . . . 0.0 112.285 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 69' ' ' TYR . 13.2 mt -104.41 133.49 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.0 mt-10 -121.22 109.88 34.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.8 Cg_endo -60.36 157.67 34.78 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.424 2.082 . . . . 0.0 112.495 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -126.31 -1.16 6.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.35 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.446 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.2 mt-30 -56.63 -59.06 5.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -168.62 -75.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.25 35.27 2.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.282 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -69.98 160.25 81.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.483 0.182 . . . . 0.0 110.715 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.5 153.95 15.85 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.751 2.301 . . . . 0.0 112.863 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.28 168.12 15.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.508 HG11 ' HE3' ' A' ' 20' ' ' MET . 46.9 t -138.73 123.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.245 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 1.2 mp0 -93.64 144.99 24.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.41 159.73 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.29 142.42 15.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.866 0.365 . . . . 0.0 111.76 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -115.23 -169.57 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -114.2 -25.52 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -128.04 169.16 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.3 -32.39 16.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.73 -53.14 36.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.587 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.12 -27.98 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.174 0.511 . . . . 0.0 110.054 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.458 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.9 tp -67.71 -56.49 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.43 -27.73 68.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.612 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.1 tp10 -73.82 -58.18 3.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.895 0.378 . . . . 0.0 111.836 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -67.76 -49.07 64.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.458 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 33.9 m-85 -67.52 -34.45 77.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.4 tm0? -67.0 -33.14 74.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -70.18 -46.33 64.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.918 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.86 -33.72 42.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.505 ' HG2' ' HB ' ' A' ' 71' ' ' VAL . 86.4 mtt180 -76.03 -35.65 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.883 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.26 -18.11 24.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.005 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 38' ' ' ALA . 73.5 mt -101.07 -21.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.959 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.2 p -110.23 -58.17 2.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.409 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 6.6 m95 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.745 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.511 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 3.8 pt20 -145.1 148.14 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.61 -122.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.587 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.18 147.41 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.386 . . . . 0.0 111.133 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -151.25 165.49 33.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -116.37 123.85 48.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.455 ' HE3' HG13 ' A' ' 97' ' ' VAL . 77.8 mtp -121.32 146.99 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -60.05 129.42 41.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.303 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -112.06 100.44 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.49 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 p -72.03 -8.81 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -59.86 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -104.47 0.49 28.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.282 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.24 69.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -171.4 178.72 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.696 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -100.16 141.55 32.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 111.08 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -132.43 166.98 20.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -97.05 120.96 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.215 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -121.1 159.18 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.259 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -107.44 99.72 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.647 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' HB3' HD13 ' A' ' 40' ' ' LEU . 74.2 m -90.85 167.04 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.277 0.56 . . . . 0.0 111.889 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -168.09 118.06 0.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.32 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.37 122.72 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.08 121.1 39.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 64.34 -81.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.253 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -149.8 25.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.443 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.3 mttt -133.76 149.2 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.112 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 33' ' ' CYS . 42.8 tp -107.63 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -108.31 129.02 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 111.223 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -113.39 133.69 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.568 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -96.12 177.11 5.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.959 0.409 . . . . 0.0 111.361 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.0 p-10 -73.11 165.46 24.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.78 139.62 9.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.823 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -92.54 -25.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.525 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 32.0 mmt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.76 160.47 9.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.3 mt -142.64 125.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 66' ' ' LEU . 3.8 mm? -93.72 95.34 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.139 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.548 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -63.39 98.14 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 64' ' ' LEU . 3.7 mm? -50.61 -39.54 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.871 0.367 . . . . 0.0 111.246 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -59.19 -1.14 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.199 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.459 ' H ' ' C ' ' A' ' 66' ' ' LEU . 17.0 p -145.27 35.55 1.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -147.46 171.09 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 111.078 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.549 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.1 m-80 -132.17 168.99 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.842 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.38 137.19 57.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.17 121.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.872 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 6.0 tmmm? -75.46 104.85 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.707 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.496 ' HB2' ' HB ' ' A' ' 84' ' ' VAL . . . -72.63 120.94 83.44 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.959 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.505 ' HB2' ' H ' ' A' ' 76' ' ' GLN . 71.4 Cg_exo -48.02 -94.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.215 2.61 . . . . 0.0 113.798 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.505 ' H ' ' HB2' ' A' ' 75' ' ' PRO . 61.5 tt0 -93.29 64.96 3.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 111.176 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 47.92 -154.85 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.816 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.427 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 38.3 ttpt -146.44 -64.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.01 -76.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -139.69 9.65 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.427 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -94.04 176.45 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.265 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.2 p -123.65 -21.05 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.299 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.59 103.3 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.411 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 53.7 t -128.71 155.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.5 m-85 -135.97 120.0 17.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.142 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.531 HG12 ' HG3' ' A' ' 98' ' ' GLU . 63.2 mt -99.85 139.72 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.141 0.496 . . . . 0.0 112.321 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 41.2 mt -98.22 134.45 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.055 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.2 mt-10 -119.47 109.89 37.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.008 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 18.6 Cg_endo -58.11 158.68 20.88 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.73 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -125.68 -0.2 7.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.475 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.54 -62.17 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' HG3' ' H ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -161.03 -89.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.401 ' H ' ' HG3' ' A' ' 92' ' ' GLN . . . -124.34 21.91 6.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.063 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.34 158.54 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.27 154.1 14.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.713 2.276 . . . . 0.0 112.871 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.05 168.13 13.77 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.803 2.336 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.478 HG23 HD11 ' A' ' 64' ' ' LEU . 39.5 t -133.22 130.76 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.025 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -98.96 141.39 31.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.958 0.408 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' VAL . 33.9 m-85 -129.34 159.92 34.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.374 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.2 161.28 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 0.0 111.82 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -133.53 -174.04 3.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.728 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -119.01 0.02 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -144.97 161.65 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -78.43 -31.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.25 -51.78 28.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.663 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.92 -29.4 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.1 tp -63.55 -56.66 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -64.29 -40.47 96.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.552 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.8 -58.53 7.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.47 -49.39 60.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -68.15 -30.53 69.67 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.31 -33.82 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.8 t -68.99 -44.4 72.92 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.155 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 66' ' ' LEU . 59.2 mt -59.72 -36.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 71.7 mtt180 -76.66 -28.31 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.371 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 113' ' ' SER . 17.6 mt-10 -56.63 -18.29 11.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.932 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -108.95 -24.24 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.986 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.4 p -123.65 26.66 7.66 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 66.6 t-105 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.589 0.233 . . . . 0.0 111.247 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -138.06 147.23 43.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.25 -130.5 1.98 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -124.36 153.29 42.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 mt -150.41 174.42 12.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -131.02 139.51 49.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.401 ' N ' ' HE2' ' A' ' 31' ' ' HIS . 82.0 mtp -132.15 151.73 51.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.612 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.0 t-105 -73.05 106.92 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.501 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -79.48 100.89 7.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -73.72 2.23 8.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.961 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.1 -61.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.529 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -94.68 -5.08 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.157 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 mp0 57.74 73.42 0.47 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.588 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -168.26 -175.5 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.727 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -111.7 110.59 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 146.54 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.15 121.52 31.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' HE2' ' N ' ' A' ' 20' ' ' MET . 7.5 p80 -126.82 139.72 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -77.44 106.62 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.33 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' HD12 ' A' ' 40' ' ' LEU . 34.7 m -91.98 157.56 16.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 111.682 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.41 114.64 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.328 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.65 116.98 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.6 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.99 120.28 40.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.723 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.65 -81.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -145.84 5.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.547 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -117.17 162.03 18.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.308 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 33' ' ' CYS . 19.5 tp -125.79 117.28 23.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 p -104.3 117.86 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -100.31 126.02 46.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -87.69 174.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.027 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -62.21 163.36 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.98 132.65 54.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 pt -87.07 6.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 169.93 161.75 20.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -135.2 142.75 39.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.218 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.0 tp -106.91 104.4 14.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.2 m-20 -49.91 -32.72 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD12 HD12 ' A' ' 117' ' ' ILE . 86.0 mt 55.72 14.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -107.04 -12.48 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.1 p -139.26 67.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.26 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -153.89 171.12 19.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.8 m-20 -136.95 129.35 29.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.88 125.89 48.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 111.184 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -132.19 123.72 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.017 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -72.44 104.83 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.4 120.91 73.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.0 Cg_exo -80.05 154.14 22.33 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.016 2.478 . . . . 0.0 112.652 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 54.36 19.99 2.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.63 -146.09 44.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.291 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -154.66 -36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.767 0.318 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -135.69 94.79 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 56.79 17.98 3.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -120.35 168.11 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.6 p -122.07 -38.68 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.331 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -110.62 98.89 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.048 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 99' ' ' PHE . 47.1 t -130.01 145.39 35.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.908 0.385 . . . . 0.0 111.848 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.442 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.7 m-85 -126.17 125.4 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.552 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.565 HG12 ' HG3' ' A' ' 98' ' ' GLU . 78.5 mt -99.76 140.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.267 0.556 . . . . 0.0 112.232 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 85.8 mt -104.42 128.76 52.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.321 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.1 mt-10 -114.47 112.4 46.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.727 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -59.22 128.97 29.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.506 2.137 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -81.45 9.37 7.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.67 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -65.86 -74.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.711 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.85 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.775 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -121.2 17.46 9.09 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.813 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.572 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -54.01 162.21 1.55 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.025 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 72.7 Cg_endo -73.78 147.52 39.78 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.992 2.461 . . . . 0.0 113.116 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -87.39 168.25 7.46 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.998 2.466 . . . . 0.0 112.082 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.24 124.34 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.565 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.97 145.85 24.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.29 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.427 ' O ' HG13 ' A' ' 84' ' ' VAL . 31.9 m-85 -132.97 156.68 46.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.234 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.45 166.78 32.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 111.776 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.3 p -140.38 -174.31 3.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.846 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.47 6.66 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -146.23 161.44 40.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -41.26 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.54 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.52 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.8 tp -63.63 -56.47 15.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.54 -39.65 91.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.409 -179.091 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.81 -57.92 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.987 0.422 . . . . 0.0 111.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -68.46 -49.1 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 12.3 m-85 -67.62 -30.75 70.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.41 -36.28 76.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.997 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.21 -34.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 13.5 mtt180 -76.39 -30.98 57.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.942 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 113' ' ' SER . 25.3 mt-10 -57.55 -18.75 21.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.033 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.451 HD12 HD12 ' A' ' 66' ' ' LEU . 61.5 mt -109.05 -29.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.7 p -115.19 20.13 15.15 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 76.5 t-105 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.184 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.434 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 29.3 tt0 -135.02 142.49 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.03 -136.58 3.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -120.1 160.81 22.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -162.92 176.01 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.709 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.437 ' HH ' ' HE ' ' A' ' 30' ' ' ARG . 62.9 m-85 -128.08 145.57 50.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.3 mtm -137.02 134.17 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.59 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.517 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -60.06 120.32 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.347 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -108.45 105.82 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.389 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 p -78.75 -0.67 31.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.05 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -34.79 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.616 ' HB3' ' HZ1' ' A' ' 27' ' ' LYS . 9.4 m-20 -127.9 0.09 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.904 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 51.11 70.0 0.58 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.176 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HZ1' ' HB3' ' A' ' 25' ' ' ASP . 3.8 ptpp? -164.31 176.4 9.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.259 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -112.85 111.05 21.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.672 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 p -102.08 158.69 15.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 37.3 ttm180 -97.8 121.9 40.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -119.3 160.16 22.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 60.2 t80 -98.37 95.46 7.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.538 ' HB3' HD13 ' A' ' 40' ' ' LEU . 94.4 m -84.79 158.9 20.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 0.0 111.884 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -167.64 121.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.313 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -88.29 117.2 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 111.282 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.822 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.85 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 117' ' ' ILE . . . -137.5 -18.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.738 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 54.9 mttp -95.25 173.87 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 33' ' ' CYS . 25.1 tp -126.77 117.65 23.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -100.28 120.7 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -99.88 135.01 41.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 42.8 t -96.62 176.72 5.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.383 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -76.92 165.81 24.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.75 145.64 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.84 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -112.01 8.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.292 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 23.9 mmm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.4 166.84 18.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.56 137.45 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD23 ' HG ' ' A' ' 87' ' ' LEU . 18.7 tp -105.41 100.7 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.343 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.544 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -64.98 80.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.542 HD22 HG21 ' A' ' 114' ' ' ILE . 72.1 mt -50.48 -20.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.548 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -66.33 -39.13 89.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 p -105.32 43.79 1.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 19.2 m-85 -146.35 168.08 21.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.548 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 84.7 m-20 -132.81 136.29 46.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.391 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.51 131.86 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 111.792 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.481 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.37 120.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -75.81 104.84 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.575 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 120.39 79.15 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.384 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 77' ' ' GLY . 56.6 Cg_endo -84.89 -42.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.932 2.421 . . . . 0.0 113.225 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.59 25.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.894 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 56.65 -151.58 24.25 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.622 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 15.0 tppt? -151.37 -48.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.527 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 50.0 m-80 -152.49 99.14 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.676 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 59.39 12.27 2.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.0 167.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -118.32 -34.67 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.231 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -115.96 106.41 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 100' ' ' ALA . 41.9 t -136.45 146.71 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 111.717 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.514 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -123.08 155.81 36.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 ' HB ' HG22 ' A' ' 72' ' ' VAL . 52.8 mt -134.5 133.48 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HG ' HD23 ' A' ' 64' ' ' LEU . 3.9 mm? -93.66 127.63 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.526 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.3 mt-10 -111.29 110.38 56.04 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.521 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.29 126.05 16.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.442 2.095 . . . . 0.0 112.541 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -84.3 12.47 6.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.34 -71.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.85 27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.116 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.92 12.51 23.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.016 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.597 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -51.13 163.68 0.51 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 29.5 Cg_endo -60.68 142.25 97.3 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.012 2.475 . . . . 0.0 112.951 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.74 168.39 7.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.093 2.529 . . . . 0.0 112.333 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.91 133.64 65.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.622 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 2.0 mp0 -101.25 142.99 31.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.12 0.486 . . . . 0.0 111.738 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -132.29 156.7 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.151 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.18 154.59 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 0.0 111.663 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.414 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 41.0 p -119.77 -169.92 1.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -114.28 -21.08 10.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -130.63 169.31 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.26 -30.47 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.06 -54.04 14.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.16 -25.09 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.6 tp -68.54 -56.5 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.81 -27.6 67.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.526 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -70.77 -57.8 4.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.937 0.398 . . . . 0.0 111.643 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -69.84 -47.9 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 32.0 m-85 -67.39 -31.0 70.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.8 tm0? -69.88 -35.65 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 35.7 t -66.32 -48.3 70.76 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.927 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.542 HG21 HD22 ' A' ' 66' ' ' LEU . 48.8 mt -54.56 -34.23 28.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.585 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 83.6 mtt180 -76.65 -29.38 56.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.47 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 113' ' ' SER . 27.4 mt-10 -59.28 -20.17 52.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.509 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' A' ' 66' ' ' LEU . 2.8 mp -91.71 -44.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.561 HG21 ' H ' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -100.64 -60.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 76.0 t-105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.354 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -134.22 139.35 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.714 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.65 0.75 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -139.48 148.35 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.406 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 mt -149.02 178.83 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.674 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.98 143.32 50.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.026 0.441 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.409 ' HG3' ' HE2' ' A' ' 31' ' ' HIS . 80.2 mtp -130.1 154.31 47.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.791 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -78.66 132.12 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -117.99 101.59 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.355 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 p -73.79 -5.89 43.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.0 -51.45 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.21 -0.33 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.215 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 55.09 69.76 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.66 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -167.74 176.06 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.735 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -105.46 131.05 53.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.404 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 59.5 p -113.49 144.06 43.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -88.44 121.68 31.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.754 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' HE2' ' HG3' ' A' ' 20' ' ' MET . 8.4 p80 -130.7 134.77 47.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -74.04 104.27 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.322 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HB3' HD13 ' A' ' 40' ' ' LEU . 60.0 m -84.82 157.43 20.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.142 0.496 . . . . 0.0 111.62 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.36 114.58 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.285 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.5 107.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.514 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.19 120.14 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.713 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 63.71 -84.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.79 -10.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 94.9 mttt -106.26 146.54 30.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.96 0.41 . . . . 0.0 111.579 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 33' ' ' CYS . 13.6 tp -107.64 116.83 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.186 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 m -109.25 116.55 32.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 111.317 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -98.92 138.65 35.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -89.33 173.48 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.14 165.8 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 3.8 m-20 -46.1 141.9 3.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 pt -108.74 3.76 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.842 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.874 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.96 163.93 37.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -133.68 143.76 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -112.91 105.6 13.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.074 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.4 p30 -47.1 -39.62 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.7 mt 61.54 5.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -101.59 -12.2 18.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.922 0.392 . . . . 0.0 110.47 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' PRO . 80.4 p -138.92 69.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -155.8 170.38 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.048 0.451 . . . . 0.0 110.965 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 52.7 m-80 -137.25 129.83 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.84 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.89 126.11 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -133.4 120.93 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.888 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.82 104.79 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.44 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.45 121.07 73.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 4.2 Cg_exo -80.68 157.2 21.5 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.986 2.457 . . . . 0.0 112.465 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 55.33 18.03 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.38 -148.33 44.16 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.247 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -153.62 -34.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.726 0.298 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -141.17 97.02 3.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.957 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 56.54 18.98 3.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 67.6 mmtt -123.09 167.84 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -121.02 -38.57 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.427 ' HB3' HD11 ' A' ' 107' ' ' LEU . 10.1 m-85 -111.45 100.99 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.044 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG11 ' O ' ' A' ' 99' ' ' PHE . 57.3 t -131.57 144.47 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.799 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.1 m-85 -123.76 127.79 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.596 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.564 HG12 ' HG3' ' A' ' 98' ' ' GLU . 80.2 mt -100.84 138.81 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.206 0.527 . . . . 0.0 112.141 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 77.9 mt -104.52 126.56 51.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.401 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.4 mt-10 -112.21 105.83 56.19 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.55 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 68' ' ' THR . 26.4 Cg_endo -60.38 140.18 90.38 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.593 2.195 . . . . 0.0 112.745 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -103.59 8.96 37.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.32 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' A' ' 92' ' ' GLN . 8.7 tt0 -65.36 -57.4 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 10.6 pt20 -177.18 67.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.276 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.38 9.83 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.81 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.573 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 2.0 m-20 -45.73 161.16 0.26 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.448 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 30.0 Cg_endo -61.06 146.56 97.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.001 2.468 . . . . 0.0 112.772 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -85.75 168.16 9.68 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.793 2.328 . . . . 0.0 112.282 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 t -134.4 124.91 46.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -93.21 147.82 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' O ' HG11 ' A' ' 84' ' ' VAL . 29.3 m-85 -134.49 155.31 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -150.27 166.44 29.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 111.849 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 24.0 p -139.57 -169.76 2.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.32 0.7 6.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -144.21 166.25 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.36 -40.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.277 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.92 -47.14 72.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.08 -33.26 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.092 0.473 . . . . 0.0 110.003 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.9 tp -66.76 -56.19 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.367 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 3.4 m-85 -63.96 -27.77 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.822 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -76.96 -58.07 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -68.05 -40.4 82.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 27.9 m-85 -75.23 -32.32 61.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.15 -29.11 65.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.106 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.1 m -74.0 -51.19 16.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.307 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.9 -40.12 34.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 45.6 ttt180 -68.97 -40.95 78.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.759 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 -17.8 14.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 mt -106.01 -21.36 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.877 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -111.27 7.27 21.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.007 0.432 . . . . 0.0 111.189 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.558 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 5.7 m95 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.756 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.623 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.4 mm100 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.824 0.345 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.472 HE21 ' HB1' ' A' ' 34' ' ' ALA . 41.8 mt-30 -125.55 131.81 52.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.9 -133.37 2.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.06 135.91 46.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.81 165.1 27.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -112.49 137.82 50.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HE1' HG13 ' A' ' 97' ' ' VAL . 79.5 mtp -131.38 146.73 52.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.704 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -65.93 125.93 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.501 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.59 94.44 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.3 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 t -70.65 -6.77 39.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.213 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.0 -41.29 92.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.426 0.632 . . . . 0.0 109.537 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.94 -0.01 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.085 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 52.57 74.03 0.31 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.815 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -169.71 175.92 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.882 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -102.8 125.81 49.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.67 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.3 p -119.46 164.59 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -95.61 130.72 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.71 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -129.29 151.4 49.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 78.8 t80 -95.68 95.88 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.807 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.9 m -87.14 161.2 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.246 0.546 . . . . 0.0 111.654 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.86 117.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.305 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 14' ' ' GLN . 73.6 mt -88.41 109.65 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 111.386 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.02 127.04 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.65 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -139.39 -5.14 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.641 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HZ1' ' HB3' ' A' ' 65' ' ' ASP . 52.3 mttm -107.61 152.8 23.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.8 tp -107.57 116.33 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 117.53 34.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.796 0.332 . . . . 0.0 111.25 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.89 135.68 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.456 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 44.2 t -95.67 162.53 13.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.295 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.562 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -65.85 165.49 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.781 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -48.67 152.71 0.92 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -115.3 -23.3 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.483 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.153 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.4 tpt180 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.0 0.428 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.91 153.3 22.44 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.179 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.6 143.63 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 111.372 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD12 HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -115.71 93.0 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.175 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.527 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -55.16 98.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.507 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 64' ' ' LEU . 79.7 mt -74.14 22.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.495 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.7 m120 -107.24 -13.16 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.3 p -138.97 63.03 1.52 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.594 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.9 171.51 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.1 m-20 -137.51 131.24 31.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.9 t -96.35 129.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.399 . . . . 0.0 111.404 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -134.74 120.78 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.865 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -74.99 105.05 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.17 121.21 76.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.572 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.4 158.5 29.3 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.787 2.325 . . . . 0.0 112.778 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 58.73 11.03 1.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.05 -172.94 4.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.536 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -136.71 151.94 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.558 0.218 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 67.98 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -143.37 17.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -104.99 174.99 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.4 p -120.46 -26.21 5.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.155 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -127.12 101.91 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.572 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.6 t -130.04 147.49 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.1 m-85 -123.81 151.28 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.989 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.54 HG12 ' HG3' ' A' ' 98' ' ' GLU . 69.6 mt -128.27 134.93 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.236 0.541 . . . . 0.0 112.335 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 HD11 HD13 ' A' ' 64' ' ' LEU . 31.4 mt -97.82 126.79 43.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.492 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.1 mt-10 -113.59 110.56 49.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.514 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -56.08 149.36 53.7 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.58 2.187 . . . . 0.0 112.764 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -116.46 3.49 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.397 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 34.7 mt-30 -66.61 -64.05 0.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HG3' ' H ' ' A' ' 93' ' ' GLY . 2.3 pt20 -159.9 -91.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 92' ' ' GLN . . . -122.69 21.98 7.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.073 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.55 159.17 2.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.553 0.216 . . . . 0.0 110.801 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.02 153.31 16.79 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.692 2.261 . . . . 0.0 112.962 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.92 168.18 12.38 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.895 2.396 . . . . 0.0 112.242 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.424 HG13 ' HE1' ' A' ' 20' ' ' MET . 48.2 t -137.08 127.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.54 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -96.28 143.65 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -130.86 162.76 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.04 155.25 27.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 111.8 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -130.35 179.3 6.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.797 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -115.57 5.58 14.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.86 155.98 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 p -77.95 -30.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.07 -51.62 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.46 -27.32 65.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.046 0.45 . . . . 0.0 109.999 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 111' ' ' PHE . 2.9 tp -66.4 -56.85 9.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.568 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.92 -27.46 66.65 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.155 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.63 -58.15 3.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.813 0.339 . . . . 0.0 111.903 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 107' ' ' LEU . 36.8 m-85 -66.22 -45.88 79.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 7.5 tp60 -58.75 -38.15 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.859 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 t -66.82 -48.71 68.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.84 -34.98 20.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 41.9 ttt180 -75.73 -37.69 59.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.809 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 37.2 mt-10 -60.51 -18.14 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.205 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -21.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.194 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -102.85 -57.15 2.1 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.516 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 3.2 m95 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.709 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 35' ' ' ILE . 11.5 mm100 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.886 0.374 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.05 135.51 47.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.533 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.13 -135.32 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.725 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -128.0 136.18 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.016 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -135.43 161.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -104.42 139.33 39.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.447 ' HE2' HG12 ' A' ' 97' ' ' VAL . 77.6 mtp -136.44 138.26 41.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.718 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.21 126.8 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.18 103.62 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.294 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.3 p -77.34 -2.65 36.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.438 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.61 -46.68 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.438 . . . . 0.0 110.337 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.5 -0.19 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.052 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 54.8 72.46 0.47 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -171.46 176.96 3.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.848 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -105.52 131.88 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -125.26 168.21 13.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -95.63 124.01 39.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.697 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -120.36 144.89 47.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.74 96.27 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.509 ' HB2' HD13 ' A' ' 40' ' ' LEU . 10.2 p -106.85 167.1 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 0.0 111.832 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.39 131.44 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.623 HD13 ' HB2' ' A' ' 14' ' ' GLN . 67.1 mt -88.66 109.42 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 111.403 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 119.6 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.69 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.18 -83.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.93 -14.73 1.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.805 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.6 mttp -97.17 148.75 22.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.042 0.448 . . . . 0.0 111.834 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 33' ' ' CYS . 38.0 tp -109.98 117.16 33.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.758 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -110.27 122.18 47.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.0 p90 -108.05 143.8 36.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -97.8 175.8 6.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.41 165.38 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -51.19 147.61 5.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 pt -113.33 1.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.51 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.021 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.6 mmp_? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.0 157.69 17.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -141.16 125.47 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.639 0.257 . . . . 0.0 111.373 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -87.67 109.08 19.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.572 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.2 m-20 -49.3 -26.79 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.449 HD13 HD11 ' A' ' 117' ' ' ILE . 76.6 mt 56.14 14.2 1.42 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -110.29 -12.89 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.1 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.3 p -142.23 64.95 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -151.08 171.33 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.605 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 55.3 m-80 -135.65 129.25 32.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.101 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.6 t -96.35 133.11 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.218 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -138.46 120.61 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.05 104.66 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.793 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 84' ' ' VAL . . . -70.87 120.53 79.79 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 77' ' ' GLY . 11.2 Cg_exo -71.2 -66.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.936 2.424 . . . . 0.0 112.924 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.63 30.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.889 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 54.49 -146.07 26.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.138 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HD2' HD11 ' A' ' 86' ' ' ILE . 15.4 mtpp -155.87 -44.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.677 0.275 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -140.2 98.5 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.323 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 53.86 18.74 1.69 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.422 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 70.4 mmtt -120.98 160.69 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.223 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -112.3 -48.22 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.208 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -101.32 100.73 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.956 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.534 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 41.8 t -126.09 154.88 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 28.3 m-85 -136.17 129.68 32.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.241 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.515 HG12 ' HG3' ' A' ' 98' ' ' GLU . 43.6 mt -110.79 136.21 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.2 mt -99.44 125.97 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.572 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.3 mt-10 -112.18 106.5 56.09 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.48 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.6 Cg_endo -57.09 154.54 33.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.929 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -126.82 1.4 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.547 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.436 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 57.9 tt0 -62.11 -56.88 14.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -166.37 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -134.97 29.04 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.202 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.91 159.68 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.58 0.229 . . . . 0.0 110.654 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 81.5 Cg_endo -86.85 143.66 7.1 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.809 2.339 . . . . 0.0 112.956 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.8 Cg_exo -70.66 167.37 25.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.818 2.345 . . . . 0.0 111.829 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.447 HG12 ' HE2' ' A' ' 20' ' ' MET . 43.7 t -139.74 126.01 22.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.773 0.32 . . . . 0.0 111.353 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.515 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.67 143.26 26.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -130.24 161.36 31.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.635 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' A' ' 81' ' ' LYS . . . -159.08 163.34 36.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 111.574 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.7 p -140.93 -170.44 3.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.9 3.62 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 2.7 mmp_? -145.87 151.03 37.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.008 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.92 -28.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -70.75 -53.01 17.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.15 -29.66 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.45 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.7 tp -67.61 -56.74 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.766 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -66.48 -27.64 67.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.537 -179.246 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.56 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -68.54 -49.54 58.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 40.4 m-85 -67.04 -41.55 86.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 21.6 tp60 -61.52 -35.71 78.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 64.8 m -68.1 -43.51 78.31 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.894 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.09 -33.96 47.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -76.44 -33.38 58.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.98 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 29.7 mt-10 -57.79 -19.26 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.218 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.449 HD11 HD13 ' A' ' 66' ' ' LEU . 61.4 mt -108.83 -30.91 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.548 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.8 p -107.34 23.73 13.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.783 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.459 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 49.9 t-105 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.652 0.263 . . . . 0.0 111.191 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -139.91 142.21 36.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.37 -129.3 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.636 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.85 160.03 39.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -161.12 159.06 28.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.54 ' HH ' ' HE ' ' A' ' 30' ' ' ARG . 19.4 m-85 -109.48 135.36 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -132.24 139.89 48.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.708 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 44.2 t-105 -55.09 108.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.701 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.09 99.34 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -73.11 0.18 12.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.969 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.16 -62.02 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -93.98 -5.57 47.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.4 mp0 57.76 72.87 0.49 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.446 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -171.27 169.6 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -96.99 133.1 42.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -135.99 163.29 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 38.8 ttm180 -95.2 129.35 42.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.61 156.8 41.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' H ' ' HG ' ' A' ' 43' ' ' SER . 72.7 t80 -97.96 100.1 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' HB3' HD12 ' A' ' 40' ' ' LEU . 73.2 m -93.02 163.18 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.081 0.467 . . . . 0.0 111.799 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.77 123.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.79 123.54 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.384 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.02 138.49 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.115 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.25 45.25 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . 60.93 15.27 5.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.378 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.7 mttt -123.78 171.65 9.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 33' ' ' CYS . 35.3 tp -131.0 117.33 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.767 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -105.87 126.22 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -111.46 133.73 53.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 32' ' ' TYR . 87.4 p -87.93 177.1 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.315 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.41 165.82 16.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.679 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -43.38 117.05 1.03 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -85.14 -36.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.5 tpm_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.119 0.485 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.03 155.93 12.79 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 34.3 mt -138.42 141.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 111.705 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 64' ' ' LEU . 3.4 mm? -99.92 111.57 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.92 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.3 m-20 -51.42 -27.23 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.4 mt 60.63 5.04 0.83 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.296 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.21 -8.44 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 62.1 p -141.76 57.14 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -150.52 171.42 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 53.1 m-80 -137.26 131.05 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.256 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 t -96.14 134.91 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -137.59 120.79 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -74.76 104.48 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.569 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB2' ' HB ' ' A' ' 84' ' ' VAL . . . -76.36 120.58 82.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.194 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.3 Cg_exo -78.04 -70.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.023 2.482 . . . . 0.0 112.745 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.04 -15.14 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.1 161.25 6.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.237 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -116.92 165.36 13.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.761 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 62.75 -92.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.254 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.6 OUTLIER -144.0 9.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.929 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -98.19 173.54 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -112.95 -61.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.27 98.45 11.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.751 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 90.0 t -125.15 154.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 111.684 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 19.7 m-85 -134.44 119.44 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.528 HG12 ' HG3' ' A' ' 98' ' ' GLU . 45.0 mt -100.0 139.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.3 mt -101.53 130.04 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.203 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.1 mt-10 -115.12 107.3 50.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.695 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.8 Cg_endo -57.76 153.17 44.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.589 2.193 . . . . 0.0 112.731 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -120.79 0.45 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.343 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.85 -63.1 1.42 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.52 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.12 21.89 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.965 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.27 158.0 2.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 88.2 Cg_endo -85.92 143.1 8.01 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.941 2.427 . . . . 0.0 112.84 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 11.8 Cg_exo -71.23 168.08 24.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.779 2.319 . . . . 0.0 111.952 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.08 127.04 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.5 mp0 -95.53 142.29 28.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 111.244 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.51 147.62 52.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.508 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.86 151.27 34.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.949 0.404 . . . . 0.0 111.762 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.8 p -121.6 -169.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.827 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.83 2.55 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -145.06 162.28 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.17 -32.94 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.98 -50.65 32.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.78 -28.64 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.3 tp -67.86 -56.41 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.953 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -66.63 -27.62 67.84 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.59 -179.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.26 -57.99 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 111.867 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -68.75 -46.41 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 30.3 m-85 -70.44 -31.0 67.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.12 -33.23 71.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 m -68.33 -45.27 73.36 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.014 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.2 -35.35 57.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-O 121.258 0.551 . . . . 0.0 109.525 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.47 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.9 mtt180 -76.13 -27.96 57.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.214 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.84 -18.82 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.233 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.7 mt -108.2 -31.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.402 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.5 p -98.15 -61.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 57.1 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.525 ' HB2' HD12 ' A' ' 35' ' ' ILE . 13.8 mm100 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.936 0.398 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.623 HE21 ' HH ' ' A' ' 32' ' ' TYR . 51.4 tt0 -169.14 137.75 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 167.79 -132.9 2.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.96 136.63 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -138.02 166.36 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -110.36 140.83 44.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.467 ' HE1' HG12 ' A' ' 97' ' ' VAL . 81.2 mtp -138.01 136.91 37.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -56.24 122.11 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.449 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -104.95 102.1 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.38 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 p -76.25 -3.51 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.88 -50.94 29.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.44 0.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.079 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 54.37 72.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.77 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HE2' HG21 ' A' ' 29' ' ' THR . 24.6 pttm -171.73 176.44 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -106.26 116.32 31.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.491 HG21 ' HE2' ' A' ' 27' ' ' LYS . 30.3 p -110.37 169.25 8.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -90.47 125.52 35.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -122.54 154.28 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' HH ' HE21 ' A' ' 15' ' ' GLN . 34.0 t80 -107.43 99.1 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.663 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB3' HD12 ' A' ' 40' ' ' LEU . 72.4 m -92.13 166.23 12.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.536 . . . . 0.0 111.936 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.86 119.77 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.269 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 14' ' ' GLN . 86.2 mt -88.57 114.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.098 0.475 . . . . 0.0 111.651 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.43 39.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.768 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 59.59 46.5 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.215 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 61.22 14.1 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.9 mttt -119.87 145.57 46.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 111.468 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 33' ' ' CYS . 26.9 tp -107.87 116.98 32.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -112.68 120.39 41.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.242 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -105.87 130.88 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -87.78 162.39 17.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.7 165.61 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.62 133.35 3.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.3 pt -98.78 -35.13 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.98 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.954 0.407 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.57 161.06 34.81 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.066 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.75 135.74 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.582 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -103.17 108.96 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.871 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.564 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -49.22 -30.59 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.687 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.0 mt 62.08 4.78 1.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.54 -12.63 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.0 p -141.18 62.64 1.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.059 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -150.78 171.64 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.1 t -96.15 134.66 32.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.77 120.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.839 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.18 104.56 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.625 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' A' ' 84' ' ' VAL . . . -74.43 119.88 78.68 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.578 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 91.2 Cg_endo -80.82 -63.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.789 2.326 . . . . 0.0 113.415 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.578 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 66.4 mt-30 -60.14 -10.68 4.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.1 51.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.108 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HD2' HD12 ' A' ' 86' ' ' ILE . 45.1 mtpt -141.8 149.87 40.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 111.09 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.28 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.176 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -146.67 13.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.97 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -101.96 166.97 10.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.9 m -106.14 -56.17 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.048 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.41 105.14 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.781 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 79.4 t -127.5 153.97 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.883 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 24.3 m-85 -135.21 126.09 27.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 98' ' ' GLU . 48.0 mt -107.57 137.92 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.7 mt -99.43 128.32 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.285 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 41.6 mt-10 -114.56 108.14 49.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.625 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 16.2 Cg_endo -55.78 150.53 44.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.409 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -118.24 3.43 11.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.416 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.0 mt-30 -64.76 -61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HG3' ' H ' ' A' ' 93' ' ' GLY . 2.4 pt20 -162.13 -91.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 92' ' ' GLN . . . -122.68 22.13 7.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.963 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -54.42 158.44 4.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.613 0.244 . . . . 0.0 110.759 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.98 153.92 17.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.752 2.302 . . . . 0.0 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.85 168.23 9.52 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.968 2.445 . . . . 0.0 112.29 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.467 HG12 ' HE1' ' A' ' 20' ' ' MET . 47.0 t -135.32 133.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -100.99 140.56 35.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.411 ' O ' HG11 ' A' ' 84' ' ' VAL . 40.6 m-85 -129.28 158.41 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.54 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.03 153.23 23.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.411 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 36.4 p -121.74 -169.46 1.87 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -120.66 -10.6 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -138.55 166.69 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.0 -32.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.4 -49.39 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.17 -28.73 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.459 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.2 tp -67.19 -56.67 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.0 -27.54 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.566 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.446 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -73.55 -58.32 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.861 0.363 . . . . 0.0 111.836 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.42 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 23.5 m95 -67.64 -49.22 64.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 31.1 m-85 -66.44 -41.39 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.9 tm0? -59.83 -36.14 76.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -66.5 -43.97 83.86 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.921 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.61 -33.23 48.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.5 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 11.3 mtt180 -76.41 -29.99 57.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.019 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' SER . 31.2 mt-10 -63.03 -18.72 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.399 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 38' ' ' ALA . 65.5 mt -107.85 -30.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.599 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.444 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 69.6 p -101.35 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.3 t-105 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.466 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 1.4 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.94 0.4 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 61.5 tt0 -167.08 137.36 3.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.64 -143.85 8.0 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.38 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.6 143.92 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.59 173.65 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.549 ' HH ' ' HE ' ' A' ' 30' ' ' ARG . 61.6 m-85 -126.39 138.55 53.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.507 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.9 mtp -134.83 147.61 49.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.648 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -64.97 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.68 104.07 10.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.447 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.8 p -74.51 -6.02 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.179 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mm -71.25 -49.15 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.43 1.92 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.099 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 51.05 68.19 0.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -166.51 178.84 5.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.992 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -106.11 113.25 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.766 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 80.4 p -99.93 163.54 12.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 33.2 ttm180 -104.81 121.77 44.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.61 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' HE2' ' N ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -130.4 135.76 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -73.84 96.75 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.182 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB3' HD12 ' A' ' 40' ' ' LEU . 71.6 m -85.67 159.92 19.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.448 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -167.39 125.06 1.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.9 mt -88.79 106.65 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.19 41.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.846 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.29 -83.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.29 2.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.585 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.0 mttt -115.69 150.48 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 111.444 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' A' ' 33' ' ' CYS . 27.7 tp -107.77 117.52 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.075 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -114.58 124.34 51.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 111.366 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -109.44 131.87 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.537 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -87.89 171.76 10.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.244 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.5 165.44 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 4.5 m-20 -45.25 138.56 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -99.96 11.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.398 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.43 153.51 24.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.126 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 23.4 mt -142.43 137.64 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -98.31 113.28 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.931 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.0 m-20 -49.16 -34.33 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.2 mt 60.97 5.12 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.381 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.5 m120 -97.8 -19.35 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.05 0.452 . . . . 0.0 110.144 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.2 p -139.59 70.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.21 171.44 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.558 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.5 m-20 -138.9 130.9 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.264 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.0 t -95.99 129.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 0.0 111.138 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.9 OUTLIER -135.85 120.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.968 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.33 104.73 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.36 121.34 75.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.48 153.32 23.7 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.923 2.415 . . . . 0.0 112.597 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.24 23.23 4.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.94 -141.77 48.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.305 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -154.45 -39.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.73 0.3 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.19 -81.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -129.9 9.7 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -97.35 -174.34 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.192 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.0 m -131.16 -35.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.07 96.25 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.661 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 100' ' ' ALA . 40.2 t -125.75 146.29 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 112.047 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.482 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 18.5 m-85 -123.24 139.56 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.009 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 98' ' ' GLU . 67.2 mt -116.43 137.49 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 112.474 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.2 mt -99.74 128.17 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.485 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.3 mt-10 -115.38 109.13 46.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.496 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 12.4 Cg_endo -54.42 153.08 23.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.54 2.16 . . . . 0.0 112.595 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -120.92 1.44 10.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.2 tp-100 -64.06 -63.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.45 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.596 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.36 37.99 2.09 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.552 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.482 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -75.7 159.5 81.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.523 0.201 . . . . 0.0 110.595 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.19 153.22 16.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.686 2.257 . . . . 0.0 112.93 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.51 168.23 13.0 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.755 2.303 . . . . 0.0 112.211 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.507 HG13 ' HE3' ' A' ' 20' ' ' MET . 47.6 t -139.51 133.54 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 0.0 111.47 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.535 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.3 mp0 -102.5 143.01 32.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.234 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' HG12 ' A' ' 84' ' ' VAL . 38.0 m-85 -130.97 158.97 38.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.461 ' HB3' HG22 ' A' ' 84' ' ' VAL . . . -159.21 153.73 24.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.987 0.422 . . . . 0.0 111.9 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -121.31 -169.89 1.93 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.718 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -119.81 -1.68 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -146.42 164.13 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.01 -31.48 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.09 -52.01 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.56 -26.62 65.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 0.0 110.033 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.5 tp -67.84 -56.69 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -66.5 -27.4 67.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.517 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.89 -58.23 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.376 . . . . 0.0 111.863 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -68.37 -49.05 62.91 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -65.27 -42.59 93.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -58.98 -36.47 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 55.5 m -66.3 -42.97 87.56 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.799 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.46 -32.7 49.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 13.1 mtt180 -75.7 -29.82 59.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 113' ' ' SER . 34.5 mt-10 -65.75 -17.98 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.907 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.32 -31.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.7 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -108.38 -60.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 111.514 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 74.6 t-105 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.76 146.66 47.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.32 -129.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.457 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -139.48 144.19 37.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.92 169.95 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.07 142.08 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.5 mtp -134.66 137.97 44.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -60.79 123.17 16.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.381 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.76 105.82 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 p -80.31 -0.36 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.246 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.97 -39.25 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.296 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.52 -0.43 8.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.892 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.78 72.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -169.81 176.09 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.924 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -106.23 132.91 51.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.731 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -130.53 165.0 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.49 121.53 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -119.65 129.22 54.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -73.94 103.33 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.276 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.535 ' HB3' HD11 ' A' ' 40' ' ' LEU . 92.4 m -93.96 160.66 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.653 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.27 117.47 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.71 123.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 111.441 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 139.48 20.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.31 43.82 19.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 61.11 16.89 7.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -123.92 170.31 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.6 tp -130.84 117.35 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' HG12 ' A' ' 63' ' ' ILE . 35.8 p -106.71 120.65 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -104.73 138.7 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.132 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.4 m -92.97 159.13 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.566 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.9 p-10 -61.26 165.76 4.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.762 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.14 121.74 5.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -95.8 -31.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.643 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.566 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 12.1 tpp180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.067 0.461 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.39 154.57 8.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.959 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG12 ' HB3' ' A' ' 41' ' ' SER . 36.2 mt -135.43 142.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.643 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -104.06 110.73 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.912 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -50.97 -27.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 96.7 mt 60.03 4.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.7 m120 -99.15 -12.79 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.275 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.2 p -139.49 61.56 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 88' ' ' GLU . 20.3 m-85 -151.7 170.85 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.6 m-20 -137.97 130.85 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.383 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.4 125.92 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.158 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.501 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -132.13 121.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.961 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.61 ' HZ1' ' HB3' ' A' ' 73' ' ' LYS . 8.2 ttpm? -74.56 104.69 5.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.507 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -78.28 120.7 82.11 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.356 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_exo -76.38 156.7 37.02 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.998 2.465 . . . . 0.0 112.528 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 56.86 13.19 1.38 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.74 -171.26 5.89 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.445 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -139.9 154.84 47.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 110.726 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 65.84 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.994 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -144.68 18.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.9 176.2 5.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.444 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -119.76 -26.38 5.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.19 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.41 103.61 7.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.537 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' ALA . 40.7 t -129.9 148.65 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.4 m-85 -124.82 152.7 43.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.501 ' HB ' HG21 ' A' ' 72' ' ' VAL . 60.6 mt -130.19 133.58 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.33 125.7 41.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.475 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -113.69 111.66 48.68 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.886 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.85 127.77 23.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.435 2.09 . . . . 0.0 112.097 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.63 6.92 5.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.453 ' HG3' ' OD2' ' A' ' 94' ' ' ASP . 7.3 pt20 -110.13 115.59 30.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 41.35 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.371 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.9 47.13 2.04 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 7.8 m-20 -61.47 164.43 9.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 50.8 Cg_endo -65.69 142.51 70.71 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.318 2.679 . . . . 0.0 113.359 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.73 168.18 7.06 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.968 2.445 . . . . 0.0 111.892 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.1 128.06 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.752 0.31 . . . . 0.0 111.293 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -101.4 143.07 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.404 ' O ' HG11 ' A' ' 84' ' ' VAL . 47.3 m-85 -131.76 162.66 29.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.536 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.39 156.89 29.27 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.897 0.38 . . . . 0.0 111.599 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.415 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 37.1 p -124.32 -173.8 2.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.37 -11.98 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -141.31 171.82 13.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.984 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.23 -39.55 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.13 -52.35 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.73 -26.96 66.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.434 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.0 tp -68.5 -56.59 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -67.18 -27.61 67.42 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.584 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.05 -57.77 4.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.891 0.377 . . . . 0.0 111.677 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -69.21 -49.02 60.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 33.9 m-85 -66.66 -31.61 72.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.7 tm0? -70.35 -35.43 73.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 46.2 t -68.66 -49.07 62.01 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.407 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.9 mt -54.24 -34.86 28.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.499 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 56.9 ttt180 -76.48 -33.0 58.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.337 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 25.8 mt-10 -57.52 -19.14 22.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.821 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -109.05 -21.37 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.947 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.6 p -107.81 11.99 27.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 29.1 m95 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.948 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.444 HE21 ' HB1' ' A' ' 34' ' ' ALA . 47.1 mt-30 -123.47 143.2 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 -138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.346 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.24 144.94 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.47 166.27 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.55 137.58 52.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.451 ' HE2' HG11 ' A' ' 97' ' ' VAL . 83.8 mtp -130.73 131.69 44.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.78 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.6 t-105 -58.46 109.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.526 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.13 100.9 8.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -73.85 1.84 9.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.912 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mm -89.4 -61.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.77 -6.58 45.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.3 mp0 58.46 72.27 0.54 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.391 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -169.79 172.65 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.697 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -107.17 125.59 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.3 p -117.07 169.06 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -91.03 121.8 33.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -120.25 157.43 29.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 74.4 t80 -114.79 98.95 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.68 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.499 ' HB3' HD12 ' A' ' 40' ' ' LEU . 86.4 m -94.17 166.99 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.149 0.5 . . . . 0.0 111.854 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -166.91 117.56 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.487 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -88.65 132.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.001 0.429 . . . . 0.0 111.304 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.38 120.92 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 65.99 -80.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.29 14.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 88.4 mttt -121.99 142.14 50.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 111.557 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 33' ' ' CYS . 27.3 tp -107.67 117.03 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.739 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -111.7 121.38 44.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.541 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -108.21 138.77 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.386 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 88.1 p -92.96 163.65 13.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.391 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.511 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 21.0 t70 -72.06 165.67 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -42.07 115.43 0.67 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.73 -31.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.294 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.085 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.3 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.078 0.466 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.89 150.56 12.57 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.713 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.4 mt -137.86 124.58 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -94.2 106.28 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.853 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.55 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.7 p-10 -53.74 -25.47 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.744 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.8 mt 62.49 5.14 1.53 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.442 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.497 HD21 ' HB2' ' A' ' 65' ' ' ASP . 53.3 m-80 -89.65 -4.36 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.718 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.42 HG22 ' OD2' ' A' ' 65' ' ' ASP . 4.3 t -153.65 63.86 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.377 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -151.76 171.2 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 89.8 m-20 -138.93 129.97 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.333 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.28 127.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.78 124.12 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.005 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -77.52 104.51 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.332 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -77.29 120.77 82.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.1 Cg_endo -82.17 -64.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.059 2.506 . . . . 0.0 112.786 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.05 -17.79 11.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.31 -159.1 22.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -138.93 -61.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.213 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -140.29 103.2 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 57.04 16.45 2.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.501 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -118.73 157.82 26.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.4 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -109.22 -49.4 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -100.44 104.34 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.865 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' ALA . 20.7 t -136.41 149.8 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 111.867 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.499 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -124.98 152.25 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.492 HG12 ' HG3' ' A' ' 98' ' ' GLU . 58.5 mt -131.0 134.53 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.1 mt -96.56 126.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.396 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.9 mt-10 -114.77 110.09 46.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.844 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -58.2 143.59 96.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.453 2.102 . . . . 0.0 112.294 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -107.43 5.68 27.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -75.52 -84.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 94' ' ' ASP . 13.3 pt20 -137.32 -139.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.25 33.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.339 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -63.17 155.96 71.0 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.543 0.211 . . . . 0.0 110.682 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.48 150.41 15.0 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.3 . . . . 0.0 112.985 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.52 168.36 9.93 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.879 2.386 . . . . 0.0 112.214 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.451 HG11 ' HE2' ' A' ' 20' ' ' MET . 41.8 t -133.52 131.84 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.222 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.492 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -101.33 142.56 32.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.011 0.434 . . . . 0.0 111.352 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -130.52 159.04 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.402 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -156.75 161.5 39.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.047 0.451 . . . . 0.0 111.822 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.511 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 77.7 p -132.68 -174.96 3.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.45 -3.26 9.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -146.6 162.74 37.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.771 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.71 -25.55 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.3 -53.26 14.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.02 -32.5 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.407 . . . . 0.0 110.314 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.511 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 3.1 tp -65.5 -56.35 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.66 -29.31 69.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.661 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.67 -58.01 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -68.73 -49.03 62.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 41.7 m-85 -68.59 -31.06 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -70.0 -35.29 74.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.317 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 57.1 m -68.7 -48.07 64.81 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.248 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.9 -34.82 38.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.0 mtt180 -76.9 -27.9 55.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.624 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 113' ' ' SER . 20.3 mt-10 -57.83 -22.44 47.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.601 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 117' ' ' ILE . 3.0 mp -96.44 -40.91 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.659 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.6 p -94.25 -64.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.446 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.579 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 65.7 t-105 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.771 0.319 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -136.16 139.4 42.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.93 -147.73 8.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.87 139.12 50.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mt -135.65 171.56 14.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.977 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -120.44 127.48 52.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.438 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.9 mtp -124.32 148.23 47.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -60.02 128.35 36.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.44 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.39 100.98 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.383 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 p -73.3 -7.29 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.287 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.73 -56.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 110.399 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -107.58 1.55 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 53.38 70.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.564 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.13 179.34 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.904 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -101.89 128.55 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.6 p -124.11 168.98 12.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -90.28 135.25 33.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -133.48 154.2 51.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 80.6 t80 -102.93 95.86 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.542 ' HB3' HD13 ' A' ' 40' ' ' LEU . 78.6 m -91.78 160.57 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.562 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.65 121.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.4 mt -88.65 124.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 111.361 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.58 121.4 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.962 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 65.1 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.191 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.17 10.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.358 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 67.8 mttm -119.1 165.56 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 33' ' ' CYS . 29.9 tp -128.57 117.63 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.405 ' HB3' HG12 ' A' ' 63' ' ' ILE . 38.9 p -106.52 122.01 45.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.316 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -105.13 131.31 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 48.3 t -88.72 159.27 17.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.405 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.98 165.58 23.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.587 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.25 131.69 4.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.024 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.95 4.7 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.525 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.077 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.0 tpm_? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.997 0.427 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.44 155.99 20.06 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.006 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG12 ' HB3' ' A' ' 41' ' ' SER . 43.7 mt -137.76 140.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.565 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.1 mm? -102.23 111.09 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 5.3 m-20 -50.88 -27.73 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.4 mt 60.24 6.09 0.94 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.04 1.07 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.379 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -152.92 55.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -146.65 171.36 15.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.71 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 48.9 m-80 -137.03 131.09 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.351 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.06 131.39 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.445 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -132.33 128.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -80.37 104.71 11.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.64 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.42 120.5 80.61 Favored Pre-proline 0 C--O 1.237 0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.137 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.26 151.44 29.89 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.843 2.362 . . . . 0.0 112.757 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 55.97 15.41 1.73 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.22 -169.61 13.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.391 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -138.68 149.43 45.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.559 0.218 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 69.65 -77.81 0.05 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.016 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -145.36 16.39 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.4 178.24 4.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.7 m -123.13 -26.28 4.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.367 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -129.04 102.45 6.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -127.87 147.69 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 111.884 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.3 m-85 -131.51 123.71 28.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.44 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 62.7 mt -101.52 141.5 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 mt -101.21 129.39 47.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.304 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -114.98 103.89 54.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.713 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -59.83 153.13 58.89 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.479 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.502 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.7 tt0 -59.72 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.98 85.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.729 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.5 21.14 2.93 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.444 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -56.93 158.83 8.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.681 0.24 . . . . 0.0 110.706 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.09 149.79 41.9 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.57 2.18 . . . . 0.0 112.899 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.31 168.31 11.73 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.902 2.401 . . . . 0.0 112.307 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG13 ' HE3' ' A' ' 20' ' ' MET . 42.4 t -133.48 130.65 57.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.29 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -97.66 139.76 33.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.285 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.69 159.48 35.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.1 158.83 35.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 111.685 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.3 p -125.97 -167.95 1.78 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.78 -2.14 6.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 107' ' ' LEU . 95.6 mtt180 -140.44 165.73 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.19 -37.6 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.01 -53.6 36.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 110' ' ' TRP . 6.7 mm-40 -60.03 -31.33 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 110.04 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 103' ' ' ARG . 2.4 tm? -57.16 -56.71 18.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.1 t80 -72.46 -42.86 64.49 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.279 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.74 -58.21 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.3 m95 -60.6 -49.18 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -70.81 -30.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.4 tm0? -60.65 -37.48 81.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.3 p -69.24 -46.26 67.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.78 -34.56 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 12.9 mtt180 -76.49 -31.57 57.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.357 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.1 -18.77 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.648 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.432 HD12 HD11 ' A' ' 66' ' ' LEU . 72.5 mt -107.74 -30.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.434 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 70.4 p -101.01 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.7 t-105 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -148.12 145.18 28.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.72 128.94 22.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.46 136.03 35.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -156.75 149.26 23.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -58.51 136.32 57.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.5 109.29 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' A' ' 34' ' ' ALA . 48.6 mt-30 -134.08 146.91 50.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.91 -143.19 7.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.423 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -119.82 153.41 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.55 175.74 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -125.22 138.31 54.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.03 0.443 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.459 ' HE3' HG11 ' A' ' 97' ' ' VAL . 78.7 mtp -133.42 137.31 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.53 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.433 ' HZ2' HE21 ' A' ' 26' ' ' GLN . 43.8 t-105 -57.2 125.51 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.38 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -117.17 99.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.481 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -71.7 -6.37 40.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -66.0 -42.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.272 0.558 . . . . 0.0 109.635 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.45 2.49 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.67 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.433 HE21 ' HZ2' ' A' ' 21' ' ' TRP . 3.2 mt-30 50.24 69.94 0.56 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.987 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -167.47 177.49 5.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.939 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -109.45 115.61 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -106.07 168.43 9.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -94.73 126.27 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -123.0 144.1 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -89.69 95.83 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.092 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' HD11 ' A' ' 40' ' ' LEU . 96.7 m -90.52 160.68 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.582 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.88 118.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.598 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -88.73 125.77 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.369 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 121.26 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 65.2 -81.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.33 13.67 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.469 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 99.2 mttt -122.9 160.3 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.342 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 33' ' ' CYS . 31.6 tp -123.4 117.61 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 p -108.5 125.98 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.401 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -113.59 134.55 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -93.34 164.32 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.365 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.77 166.03 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.45 132.0 2.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.189 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.96 1.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 10.4 pt-20 -158.12 -35.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 77.9 mt-30 -94.5 32.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -53.59 134.55 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.3 mmt -114.26 24.1 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 44.3 mt-10 -53.37 113.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.204 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.57 -46.65 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.647 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.57 18.47 9.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.525 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.523 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 27.5 m-80 57.66 69.93 1.45 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.87 -161.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.834 2.356 . . . . 0.0 112.141 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.98 -60.46 3.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.89 -61.16 4.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.552 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p 50.93 -167.11 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.865 0.364 . . . . 0.0 111.228 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -103.78 -67.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.9 p -72.06 96.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.7 tpm_? -78.93 -26.14 43.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.456 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.08 151.97 12.95 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.96 138.37 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.5 mm? -101.23 110.92 23.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.971 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.5 m-20 -52.35 -26.98 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 98.0 mt 60.56 7.45 1.37 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.276 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.87 -9.53 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.354 179.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -141.31 57.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -149.59 171.51 16.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.548 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -139.49 131.24 27.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.5 t -96.2 134.81 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 111.298 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.8 OUTLIER -139.16 120.63 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.79 104.34 3.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . -76.14 120.7 82.84 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.18 155.54 42.11 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.943 2.429 . . . . 0.0 112.282 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 56.88 13.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.75 -168.42 3.71 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.572 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' H ' ' HB2' ' A' ' 81' ' ' LYS . 36.7 mtpt -145.11 137.83 26.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 54.46 82.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.294 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.23 17.1 6.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.177 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.491 ' HB2' ' H ' ' A' ' 78' ' ' LYS . 71.8 mmtt -113.5 167.63 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.485 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.0 t -124.2 -25.75 4.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.617 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.89 105.54 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 100' ' ' ALA . 27.0 t -133.09 150.94 33.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 21.2 m-85 -129.6 135.05 48.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.215 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.536 HG12 ' HG3' ' A' ' 98' ' ' GLU . 70.8 mt -113.86 138.63 43.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -100.04 130.47 46.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.28 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.7 mt-10 -117.63 107.09 45.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.687 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.438 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 14.9 Cg_endo -56.18 152.96 35.29 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.553 2.169 . . . . 0.0 112.414 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.3 mtpt -121.58 3.32 10.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.495 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.487 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 8.2 tp-100 -61.81 -62.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.08 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.13 31.8 2.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.72 158.95 81.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.566 0.222 . . . . 0.0 110.615 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.27 153.31 14.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 112.895 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -83.82 168.14 12.56 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.891 2.394 . . . . 0.0 112.196 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG11 ' HE3' ' A' ' 20' ' ' MET . 44.3 t -136.57 131.71 47.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.335 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.536 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.08 141.8 31.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 84' ' ' VAL . 41.8 m-85 -130.31 158.38 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.414 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -159.21 162.28 36.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.023 0.44 . . . . 0.0 111.77 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.449 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 38.7 p -135.74 -173.59 3.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.716 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.48 7.47 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -146.51 160.6 41.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.41 -33.82 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.152 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.01 -50.24 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.42 -32.36 70.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.017 0.437 . . . . 0.0 110.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.9 tp -66.73 -56.33 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.5 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.98 -27.7 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.659 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.39 -58.08 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -68.63 -41.08 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.486 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 32.1 m-85 -75.02 -30.92 61.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.74 -33.0 71.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.0 t -68.72 -46.81 67.95 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.126 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.2 -34.49 45.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 87.3 mtt180 -76.37 -31.6 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.21 -19.75 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.469 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.1 mt -108.54 -32.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.555 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.412 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 66.1 p -98.5 -62.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.342 . . . . 0.0 111.297 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 -53.72 -26.23 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -130.45 131.59 45.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.1 pt -141.45 113.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.0 111.329 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -105.39 110.31 22.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.2 m -145.86 114.64 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.3 pttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.041 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.626 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 8.1 mtpm? 59.52 -177.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.51 142.59 33.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.97 -63.55 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -140.01 162.41 35.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 58.43 98.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.264 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.634 ' HB2' HD11 ' A' ' 35' ' ' ILE . 11.4 mm100 -78.23 104.32 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 80.0 mt-30 -125.15 133.08 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.85 -132.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.452 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -130.19 139.67 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.997 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.47 160.3 42.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -106.81 145.21 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 mtm -141.25 139.31 33.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -57.94 123.63 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -107.38 104.12 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 p -78.83 -1.68 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.363 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.7 mp -75.46 -45.31 40.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 110.225 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.79 0.18 11.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.011 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 54.2 72.74 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.743 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -171.46 176.48 3.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.849 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -105.28 129.39 53.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.6 p -124.44 165.64 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -94.67 122.31 37.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -117.55 163.09 16.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -109.01 97.6 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.852 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.5 m -87.53 162.42 17.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.812 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.36 113.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.705 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.634 HD11 ' HB2' ' A' ' 14' ' ' GLN . 67.4 mt -88.92 113.15 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.222 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.38 122.78 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 63.68 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.33 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.36 7.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.403 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.7 mttt -119.38 158.82 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.193 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.0 tp -120.99 117.61 27.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -108.74 120.28 42.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.994 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -105.23 132.69 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.616 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.8 m -95.38 176.94 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.49 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 4.9 p-10 -66.98 165.21 16.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.42 151.19 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -101.97 -4.16 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' HG3' ' HG2' ' A' ' 48' ' ' GLN . 10.3 pt-20 -153.4 -34.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.78 29.56 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.1 p -51.3 -57.61 8.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.412 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mmt 56.84 89.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -128.99 128.58 43.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.018 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.52 -48.76 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -140.28 19.52 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m120 56.5 69.9 1.63 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.88 -56.57 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.762 2.308 . . . . 0.0 112.367 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 tp -132.81 149.87 52.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.67 43.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -74.13 178.62 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.8 tp -96.14 -72.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.2 p -61.36 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.49 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 33.4 mmt180 -92.69 7.58 42.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.8 151.04 5.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.995 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 46.6 mt -138.89 141.17 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 111.448 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -103.01 110.58 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 p30 -51.25 -29.08 13.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.3 mt 62.19 4.22 1.18 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.637 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.28 -8.42 21.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.923 0.392 . . . . 0.0 110.305 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 78.4 p -143.34 61.61 1.39 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.92 171.34 17.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 49.3 m-80 -138.29 131.13 29.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -96.14 132.34 40.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.904 0.383 . . . . 0.0 111.153 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -138.32 120.95 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -75.72 104.68 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.521 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 84' ' ' VAL . . . -74.39 120.87 83.59 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.265 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.04 -70.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.934 2.423 . . . . 0.0 112.849 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -55.11 -21.42 12.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.19 -162.96 12.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.227 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' ' 86' ' ' ILE . 20.1 mmmt -138.52 -28.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -141.5 -83.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -127.3 7.21 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.77 -173.92 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.981 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t -128.38 -54.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.948 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.406 ' CB ' HD11 ' A' ' 107' ' ' LEU . 5.0 m-85 -92.37 92.43 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.65 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 67.9 t -117.91 155.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 111.894 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 27.8 m-85 -136.11 125.12 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.193 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG12 ' HG3' ' A' ' 98' ' ' GLU . 57.2 mt -106.5 138.12 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.3 mt -99.97 128.28 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.303 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.2 mt-10 -114.68 104.97 54.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.73 152.02 59.58 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.42 2.08 . . . . 0.0 112.553 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -115.98 1.4 13.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.355 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 49.2 tt0 -97.46 129.66 44.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 43.8 -92.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.797 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.84 33.35 0.44 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.771 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -50.57 160.85 0.7 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 110.95 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.1 156.65 11.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.747 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.68 168.1 14.44 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.789 2.326 . . . . 0.0 112.299 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.67 129.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.534 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.6 mp0 -96.52 141.34 29.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.924 0.392 . . . . 0.0 111.324 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' O ' HG11 ' A' ' 84' ' ' VAL . 32.6 m-85 -130.69 156.97 44.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.465 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.08 147.83 18.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 111.822 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.46 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 62.6 p -118.08 -172.54 2.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.709 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.12 -9.32 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 61.5 mtt180 -139.39 161.59 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.46 -28.17 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.25 -52.99 18.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 103' ' ' ARG . 7.4 mt-10 -60.45 -30.64 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.228 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 2.7 tp -66.97 -56.76 8.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.51 -28.01 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.574 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.442 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -74.85 -58.37 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -69.11 -49.32 58.14 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 40.5 m-85 -67.13 -42.56 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.4 tp60 -60.93 -35.29 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.424 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -68.56 -45.92 70.83 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.022 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.86 -33.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 88.0 mtt180 -76.09 -36.04 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.588 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 35.1 mt-10 -59.64 -17.86 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.441 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.46 -21.75 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -113.01 -57.25 2.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.766 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 4.5 m95 -56.77 -20.12 20.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.04 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -84.85 20.0 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.78 103.06 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.93 159.23 24.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 82.7 p -110.2 13.52 23.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.579 ' HB2' ' HZ2' ' A' ' 124' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? 58.36 -173.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -94.12 179.44 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -86.27 -67.16 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -135.8 153.35 51.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -122.98 143.45 49.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 13.7 mm100 -73.98 138.53 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -169.05 137.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.59 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 170.41 -135.74 3.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.49 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -128.63 132.74 48.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.77 172.06 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -121.96 136.89 54.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.5 mtm -133.39 141.01 47.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -57.29 131.17 49.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.518 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -115.02 100.44 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.368 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.5 p -72.33 -7.95 52.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.388 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.6 -55.61 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.491 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -108.25 -0.01 21.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.64 68.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.572 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -170.23 176.65 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.669 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -103.49 134.25 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -121.26 169.0 11.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -97.9 122.31 40.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -120.58 160.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -109.85 96.02 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.747 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.55 ' HB3' HD12 ' A' ' 40' ' ' LEU . 85.0 m -89.01 162.91 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.861 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.81 116.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.587 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -88.77 136.84 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.318 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.14 134.54 2.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.29 41.32 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.498 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 60.56 22.54 12.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.434 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 27.7 mtmt -131.69 135.68 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 33' ' ' CYS . 28.5 tp -107.44 117.04 33.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -111.7 116.45 30.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.051 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -103.94 133.0 49.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.2 p -89.25 161.63 16.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.71 165.6 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' HB3' ' HB3' ' A' ' 48' ' ' GLN . 11.1 m-20 -45.88 142.52 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -103.2 -28.06 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.678 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.25 -32.64 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.35 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 57.6 tp60 -69.1 -60.48 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p 53.51 111.83 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.922 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.2 mtm -94.24 1.31 56.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.86 138.16 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.46 -67.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -114.26 14.33 18.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t30 56.33 68.27 2.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.801 2.334 . . . . 0.0 112.029 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tt -165.22 103.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.13 82.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.616 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -62.65 144.56 56.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.671 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.5 -77.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -56.58 102.35 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -82.22 -37.03 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.671 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.81 166.47 36.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG21 ' HD2' ' A' ' 39' ' ' LYS . 62.6 mt -141.5 139.22 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.512 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.3 mm? -107.76 107.99 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.859 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.3 t70 -55.77 -22.15 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.392 . . . . 0.0 110.661 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.0 mt 61.25 9.87 2.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.387 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -109.08 -6.85 15.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.0 p -139.45 53.25 1.72 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.427 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -151.49 169.31 22.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.557 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.4 m-20 -137.83 131.74 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.28 133.9 35.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.864 0.364 . . . . 0.0 111.096 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -136.74 120.87 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.26 104.67 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.417 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.27 120.79 82.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.321 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.446 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 83.9 Cg_endo -78.11 -52.77 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.791 2.327 . . . . 0.0 113.044 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 65.3 mt-30 -79.92 11.01 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.731 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 -140.2 29.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.298 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -149.89 -59.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -136.92 102.57 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 58.64 14.79 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.405 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -115.97 164.24 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.47 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -114.32 -51.46 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' A' ' 107' ' ' LEU . 11.5 m-85 -98.36 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.6 t -132.65 152.6 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 111.748 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.442 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.9 m-85 -133.7 122.82 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.544 HG12 ' HG3' ' A' ' 98' ' ' GLU . 64.2 mt -103.28 139.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 mt -100.81 130.93 46.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.164 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.0 mt-10 -117.32 111.14 40.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.031 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.484 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 33.5 Cg_endo -61.19 132.5 41.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.553 2.169 . . . . 0.0 112.326 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -87.03 5.44 37.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.684 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.54 -7.3 55.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.499 ' C ' ' H ' ' A' ' 94' ' ' ASP . 19.8 mt-30 63.24 152.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.621 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.81 -23.78 0.83 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.9 156.36 84.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.561 0.219 . . . . 0.0 110.657 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -84.64 152.35 11.67 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.849 2.366 . . . . 0.0 113.075 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.83 168.32 10.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.908 2.406 . . . . 0.0 112.217 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.4 t -132.47 120.89 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -91.31 143.62 26.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.335 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 84' ' ' VAL . 44.3 m-85 -130.29 157.99 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.639 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.17 154.37 27.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 111.78 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.4 p -127.65 -172.26 2.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.39 3.19 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -146.44 158.99 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.721 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.9 -30.13 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.799 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.08 -51.99 22.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.36 -27.8 66.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.47 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.8 tp -66.63 -56.71 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.024 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.84 -27.42 67.53 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.561 -179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -72.61 -58.14 3.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.851 0.358 . . . . 0.0 111.819 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.411 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 19.1 m95 -68.31 -49.15 62.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.47 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 32.9 m-85 -67.34 -36.08 80.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -65.47 -33.81 76.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 m -68.6 -45.64 71.43 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.99 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.84 -35.56 51.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 74.9 mtt180 -76.36 -29.06 57.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.406 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.8 -18.94 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.517 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 38' ' ' ALA . 84.2 mt -108.3 -31.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.433 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 72.3 p -99.68 -61.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 111.204 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 -59.06 -26.01 64.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.165 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.627 ' HZ1' ' HB3' ' A' ' 120' ' ' LYS . 3.1 mmmp? -115.96 141.66 47.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 121' ' ' ILE . 4.1 mp -115.74 99.36 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.15 107.45 17.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.5 t -159.85 160.0 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 pttt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -164.59 19.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -110.32 118.01 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.09 -35.32 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -111.24 144.94 39.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -92.65 157.2 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.19 116.96 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.442 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 33.8 tt0 -147.46 140.94 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.55 -139.61 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -126.13 144.19 50.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -146.89 168.8 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -115.05 143.61 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.467 ' HE3' HG11 ' A' ' 97' ' ' VAL . 79.1 mtp -137.18 140.31 41.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.699 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -63.29 113.37 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.201 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.53 108.35 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.85 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -82.2 8.03 12.11 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.566 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.7 mt -105.83 -28.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.68 -1.22 12.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.56 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.6 mp0 43.41 61.66 2.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.666 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -166.67 -171.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.142 -179.34 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -113.45 108.59 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.528 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 HG21 ' HG3' ' A' ' 48' ' ' GLN . 49.3 p -102.57 167.67 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -100.05 133.51 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -89.17 96.85 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.7 m -84.75 154.15 22.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.804 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -166.79 116.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.367 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -88.28 124.25 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.35 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.04 130.16 51.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.77 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.13 11.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.1 mttt -125.97 173.51 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.5 tp -121.98 117.79 27.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.484 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 p -101.5 109.39 21.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -101.26 142.66 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -88.01 173.54 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.4 p30 -76.88 165.28 24.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.636 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.67 126.81 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.556 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 pt -100.02 -27.85 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.675 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.09 -50.21 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.494 ' HG3' HG21 ' A' ' 29' ' ' THR . 18.3 mm-40 -83.89 -40.68 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.528 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.4 p 53.38 111.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.849 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mtp -90.54 6.53 43.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.807 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.6 mt-10 -66.45 120.5 13.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.44 -64.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -114.51 17.41 17.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.658 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 26.6 t-20 57.26 70.21 1.42 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.45 -60.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.779 2.319 . . . . 0.0 112.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.7 tp -166.36 109.85 0.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 76.86 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -65.4 162.35 17.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -78.56 -36.39 44.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.4 t -101.5 81.31 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.897 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.7 tpt180 -69.82 -28.63 65.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.544 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.07 13.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.242 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.29 138.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 tp -109.6 100.46 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.384 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.4 m-20 -59.54 100.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -77.72 26.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.178 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 16.5 m120 -112.87 -6.34 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.6 p -141.18 58.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -152.88 171.13 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.7 m-20 -137.33 128.28 27.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.912 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.95 128.79 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 111.314 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -130.55 135.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.71 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -86.32 110.97 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.24 120.11 69.76 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.182 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.599 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 86.2 Cg_endo -79.94 -64.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.872 2.381 . . . . 0.0 113.512 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.599 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 18.4 mt-30 -59.49 -12.61 6.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.09 163.5 6.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.088 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.579 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 24.4 ttmm -122.01 160.29 25.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.756 0.312 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 m120 65.99 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.214 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -148.49 12.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -98.4 177.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.329 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.2 p -116.09 -58.82 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.933 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.83 101.99 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.64 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -131.94 147.76 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 112.003 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 10.2 m-85 -127.17 123.97 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.9 mt -99.35 142.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.181 0.515 . . . . 0.0 112.3 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.9 mt -104.67 130.4 52.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.291 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.3 mt-10 -116.26 111.22 42.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.838 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -60.1 131.2 37.82 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.582 2.188 . . . . 0.0 112.201 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -87.46 11.16 15.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.696 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.88 -67.43 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.86 -67.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.21 23.67 2.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.141 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -63.19 163.86 16.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.577 0.227 . . . . 0.0 110.824 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 93.9 Cg_endo -76.35 148.44 30.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.888 2.392 . . . . 0.0 113.152 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.22 168.33 7.64 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.941 2.427 . . . . 0.0 112.175 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 HG11 ' HE3' ' A' ' 20' ' ' MET . 23.5 t -132.77 126.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.579 ' HG2' ' HD2' ' A' ' 78' ' ' LYS . 1.5 mp0 -95.01 144.67 25.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.41 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -132.34 147.14 52.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.71 153.19 38.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 111.805 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.467 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 44.7 p -123.11 -171.66 2.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.866 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.35 -2.17 10.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -144.43 164.61 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 p -78.26 -31.64 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.23 -54.12 12.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.07 -25.48 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.154 0.502 . . . . 0.0 109.87 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 5.5 tp -66.94 -57.52 6.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.29 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.554 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.0 t80 -70.5 -33.53 71.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.532 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.86 -57.78 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.418 . . . . 0.0 111.434 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -66.99 -39.15 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.242 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 11.6 m-85 -75.15 -30.43 60.75 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -68.0 -37.11 81.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.6 t -67.8 -45.07 75.84 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.85 -35.67 52.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 79.1 mtt180 -76.42 -28.65 56.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.438 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 113' ' ' SER . 23.8 mt-10 -60.41 -22.29 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.399 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.32 -32.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.717 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.8 p -96.2 -60.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 63.9 t-105 -61.25 -23.61 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -123.09 163.38 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.52 102.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -81.85 113.97 20.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 62.9 m -104.05 -60.3 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.009 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.686 0.279 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt 58.83 96.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.04 97.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.67 107.46 19.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -158.86 -69.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt 63.98 122.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -87.57 107.59 18.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -135.7 152.69 51.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.67 -125.32 1.35 Allowed Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.57 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -126.52 163.02 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 111.052 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.84 158.08 22.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -113.63 135.25 54.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.1 mtm -131.12 138.07 49.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -57.96 119.28 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.322 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -102.29 104.57 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 p -78.84 -1.56 35.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -75.71 -44.11 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.49 0.16 10.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 53.66 72.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.478 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.52 175.66 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.13 120.04 40.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 48' ' ' GLN . 44.1 p -113.83 168.74 9.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -91.76 127.48 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' HE2' ' HG1' ' A' ' 29' ' ' THR . 59.9 m-70 -123.52 143.61 50.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -97.92 99.93 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.037 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 40' ' ' LEU . 79.9 m -93.9 166.04 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.692 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.52 115.92 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.652 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.4 mt -88.68 139.67 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.397 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.76 122.03 12.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 64.15 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.67 24.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.359 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.622 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 87.4 mttt -134.35 142.11 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.771 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.7 tp -107.78 117.38 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.158 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -109.63 124.75 51.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -109.58 143.44 39.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.745 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' HB2' HD11 ' A' ' 59' ' ' LEU . 43.8 t -100.44 171.6 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.002 0.43 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 20.5 t70 -69.14 165.87 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.742 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -43.08 139.04 1.92 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.538 HG13 ' HG2' ' A' ' 47' ' ' GLU . 42.5 pt -96.53 -5.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.617 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' HG13 ' A' ' 46' ' ' ILE . 8.1 pt-20 -164.16 -30.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' HG21 ' A' ' 29' ' ' THR . 17.1 tp60 -88.75 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -56.19 149.33 16.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.3 mmm -127.06 15.92 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 44.1 mt-10 -59.98 117.39 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.83 -48.34 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.35 21.6 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.589 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 63.8 m-20 57.02 69.99 1.52 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.54 -49.55 4.29 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.734 2.289 . . . . 0.0 112.21 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.1 tp -151.93 110.49 3.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.69 44.36 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.548 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -72.18 146.25 47.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 43' ' ' SER . 1.8 tm? -66.29 -74.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -66.51 115.18 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.7 mmm180 -98.65 -25.76 14.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.16 160.5 34.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.9 mt -143.81 125.47 10.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 0.0 111.534 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.99 106.67 18.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.005 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.622 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.0 m-20 -54.07 -23.42 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.57 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.3 mt 63.95 0.53 0.97 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.261 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.3 m120 -104.79 -3.45 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.19 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -140.75 41.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -149.42 171.17 17.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.022 0.439 . . . . 0.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 90.4 m-20 -142.16 119.15 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.268 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.16 125.85 47.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.236 0.541 . . . . 0.0 111.266 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.482 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -123.87 153.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.105 -179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -95.82 105.02 16.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.49 121.16 70.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -81.0 168.77 16.93 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.967 2.445 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 55.49 21.09 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.32 -144.1 40.3 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.387 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.22 -45.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -121.13 -79.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -123.97 15.03 9.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -97.84 -176.57 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.348 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -125.47 -30.77 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.941 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.459 ' HB2' HD11 ' A' ' 107' ' ' LEU . 27.6 m-85 -126.22 108.23 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.629 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG22 ' HB1' ' A' ' 100' ' ' ALA . 53.1 t -131.87 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.2 m-85 -116.51 161.38 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.482 ' HB ' HG22 ' A' ' 72' ' ' VAL . 67.3 mt -136.51 137.36 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.2 mt -99.67 130.7 45.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 39.8 mt-10 -118.36 107.82 42.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.547 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.9 Cg_endo -55.69 153.53 29.66 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.469 2.113 . . . . 0.0 112.477 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -122.62 2.04 9.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.478 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.5 tp-100 -64.65 -73.36 0.12 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.24 -80.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 34.04 2.67 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.66 159.92 75.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.512 0.196 . . . . 0.0 110.639 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.03 153.99 11.16 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.767 2.311 . . . . 0.0 112.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.43 168.14 14.88 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.831 2.354 . . . . 0.0 112.167 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -137.36 125.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.77 0.319 . . . . 0.0 111.347 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.1 mp0 -94.67 141.28 28.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -129.49 156.82 43.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.484 ' HB1' HG22 ' A' ' 84' ' ' VAL . . . -159.39 165.16 33.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.067 0.46 . . . . 0.0 111.883 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 p -136.95 -171.37 2.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.84 5.22 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.38 153.76 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.695 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.99 -31.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.19 -50.16 36.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.59 -33.17 73.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.413 . . . . 0.0 110.061 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.48 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.4 tp -64.2 -56.23 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.307 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.486 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.44 -27.57 68.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.318 -179.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -72.86 -58.08 3.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -68.48 -48.09 65.36 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -67.78 -30.57 70.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -69.41 -36.39 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -66.22 -50.08 65.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.347 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.12 -35.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -77.01 -27.93 54.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.721 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 113' ' ' SER . 22.2 mt-10 -57.91 -23.82 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.533 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 117' ' ' ILE . 3.6 mp -93.84 -40.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.671 0.272 . . . . 0.0 111.645 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.5 p -94.18 -65.14 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.3 t-105 -55.04 -24.2 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -127.65 131.96 49.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.91 99.65 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -99.03 157.27 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 t -151.65 -24.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.875 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -102.55 167.8 9.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.22 118.57 33.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -140.65 4.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -73.24 -36.6 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HD2' ' NE2' ' A' ' 15' ' ' GLN . 9.7 ptpp? -161.72 140.48 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 -80.61 123.02 27.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.587 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' NE2' ' HD2' ' A' ' 13' ' ' LYS . 40.8 mt-30 -144.35 133.8 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.349 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.37 -125.73 1.1 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.714 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -137.5 148.12 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.049 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -148.54 170.44 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -116.05 138.5 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.0 mtp -131.8 139.24 48.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -58.32 120.93 9.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.539 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.8 105.58 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -81.67 8.68 9.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.374 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.35 -43.41 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.029 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.6 1.33 31.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.81 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.3 mp0 45.13 60.77 2.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.884 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -170.86 -178.37 2.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.748 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -104.54 142.11 35.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.4 p -134.13 165.0 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.877 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -93.31 124.06 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -121.72 145.68 47.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 78.4 t80 -91.57 99.23 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' HB3' HD13 ' A' ' 40' ' ' LEU . 72.4 m -93.53 160.16 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.674 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.26 114.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.386 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 14' ' ' GLN . 95.3 mt -88.38 108.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.343 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.36 124.85 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.23 -84.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HD11 ' A' ' 66' ' ' LEU . . . -145.04 6.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.422 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 66.0 mttm -116.11 145.85 42.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.221 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 33' ' ' CYS . 15.4 tp -107.57 116.3 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -105.82 118.13 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 111.212 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -104.29 130.73 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 95.0 p -95.66 177.18 5.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.255 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.02 165.18 24.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -53.46 149.41 7.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.6 pt -110.65 2.3 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.334 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.0 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.2 19.62 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.7 p -56.83 119.89 6.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.7 mmm -101.58 15.2 29.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 136.91 57.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.4 -66.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -114.07 17.13 17.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 50.2 m-20 56.12 60.7 8.19 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.899 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 97.2 Cg_endo -88.28 117.04 0.99 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.782 2.321 . . . . 0.0 112.395 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp 58.23 98.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.79 -67.15 1.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.2 t 60.94 176.58 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.382 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -108.49 -75.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.8 p -63.92 105.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.2 mmp_? -93.25 -21.32 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.718 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.14 157.53 25.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.96 140.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.531 HD21 HD12 ' A' ' 87' ' ' LEU . 8.9 tp -101.85 99.33 9.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.873 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.0 m-20 -51.52 -29.88 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 68' ' ' THR . 96.6 mt 55.39 -170.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.474 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 63.93 -2.86 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' H ' ' C ' ' A' ' 66' ' ' LEU . 12.8 t -138.78 15.12 2.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.259 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.39 170.99 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.773 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 92.0 m-20 -134.72 117.14 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.679 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.47 143.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.16 0.505 . . . . 0.0 111.044 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.508 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -139.04 120.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.865 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -68.67 104.6 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.14 121.09 75.47 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.685 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.4 151.46 22.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.005 2.47 . . . . 0.0 112.518 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 54.15 21.72 3.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.8 -153.7 19.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.354 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 39.2 ttpt -139.31 -44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' ND2' ' HE3' ' A' ' 78' ' ' LYS . 42.3 m-80 -134.42 104.38 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 57.51 12.94 1.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.326 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -119.51 163.75 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.6 m -122.37 -27.22 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.528 ' HB3' HD13 ' A' ' 107' ' ' LEU . 10.2 m-85 -121.64 99.29 6.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 99' ' ' PHE . 55.1 t -131.16 146.35 33.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 111.813 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.498 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.4 m-85 -125.16 124.42 41.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.479 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.568 HG12 ' HG3' ' A' ' 98' ' ' GLU . 74.0 mt -99.44 138.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 111.771 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.531 HD12 HD21 ' A' ' 64' ' ' LEU . 99.0 mt -102.41 135.31 44.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.442 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.5 mt-10 -123.3 104.14 35.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.6 Cg_endo -59.28 156.23 36.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.501 2.134 . . . . 0.0 112.514 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -125.69 1.9 7.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.432 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.3 mt-30 -55.71 -57.21 12.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.2 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.54 34.9 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.233 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -71.02 158.5 88.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.562 0.22 . . . . 0.0 110.696 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.49 155.33 16.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.241 . . . . 0.0 112.73 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.41 167.51 19.19 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.679 2.253 . . . . 0.0 112.219 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 t -138.87 121.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.296 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -92.1 145.57 24.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.43 ' O ' HG12 ' A' ' 84' ' ' VAL . 32.4 m-85 -132.42 160.62 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.528 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.96 165.12 35.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.758 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -138.02 -179.34 5.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.51 -14.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -142.86 172.6 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 p -78.22 -28.53 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.57 -49.51 58.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.96 -24.5 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.101 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 83' ' ' PHE . 3.9 tp -70.23 -56.99 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.012 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.21 -27.51 66.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.475 -179.262 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.38 -57.85 3.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.915 0.388 . . . . 0.0 111.795 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -70.49 -45.46 65.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 27.4 m-85 -70.45 -30.96 67.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -69.93 -37.83 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -68.2 -42.11 80.38 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.11 -33.21 46.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 78.1 mtt180 -76.18 -33.91 59.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.841 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.29 -18.61 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.13 -36.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.521 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.0 p -98.08 -61.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.8 t-105 -57.45 -25.0 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -110.22 137.87 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.8 mt -135.24 108.82 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.3 151.96 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 74.2 p -88.07 135.06 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.894 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -86.0 117.91 25.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -135.1 138.7 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -74.77 153.69 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -135.21 121.2 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -78.27 134.63 37.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -95.35 116.61 29.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 9.2 tt0 -147.27 142.35 27.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.55 -130.01 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.367 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.61 162.13 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.36 155.58 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.59 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -108.9 133.7 52.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.0 111.27 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.48 ' HE1' HG11 ' A' ' 97' ' ' VAL . 82.9 mtp -127.23 149.66 49.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.562 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -64.45 125.34 24.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.506 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -101.97 105.45 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.065 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 t -81.3 8.58 8.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.567 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.3 mt -103.18 -50.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.983 0.42 . . . . 0.0 110.109 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.88 3.29 47.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.0 mp0 44.62 62.16 2.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.48 -174.11 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.911 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -103.34 136.84 42.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.411 HG21 ' HG3' ' A' ' 48' ' ' GLN . 42.2 p -127.05 166.29 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.873 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -89.88 128.47 36.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -126.94 132.72 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -86.85 95.81 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 40' ' ' LEU . 86.4 m -86.84 159.24 19.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 112.083 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -167.15 115.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.065 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.9 mt -88.11 112.73 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.075 0.464 . . . . 0.0 111.598 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.62 124.06 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.697 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 62.99 -84.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.02 -5.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.838 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 91.8 mttt -107.46 159.82 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.189 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 33' ' ' CYS . 22.9 tp -108.19 117.65 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -104.84 108.97 20.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -101.1 137.86 38.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB2' HD13 ' A' ' 59' ' ' LEU . 48.4 t -95.13 166.99 11.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 3.9 p30 -64.35 165.26 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -47.95 133.29 14.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.5 pt -80.57 -23.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -131.55 -31.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.074 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HG3' HG21 ' A' ' 29' ' ' THR . 29.3 mm-40 -89.06 33.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -48.48 116.27 1.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.463 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.5 mtm -94.03 -2.28 53.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.89 123.62 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.419 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 54' ' ' ASN . 1.9 pm0 -98.83 152.99 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.261 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 52' ' ' GLU . 18.9 t70 72.44 -30.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.208 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.499 ' H ' ' C ' ' A' ' 52' ' ' GLU . 82.3 m-20 -133.58 66.07 72.93 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.73 0.3 . . . . 0.0 110.543 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 11.9 Cg_exo -71.05 3.92 3.08 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.865 2.377 . . . . 0.0 112.472 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 tp -58.3 -43.59 88.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.15 159.87 7.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.628 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -148.09 -173.18 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.797 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -97.52 178.21 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.6 p 40.48 86.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.782 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 31.0 tpt180 -93.71 -27.69 16.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.17 153.45 19.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.33 142.46 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 tp -116.38 100.28 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 67' ' ' ASN . 2.9 m-20 -56.51 98.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.18 23.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.251 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.0 m120 -113.14 -3.36 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.609 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.6 p -143.0 56.11 1.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -151.01 171.21 17.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.4 m-80 -136.13 129.36 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.159 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.8 t -96.14 130.17 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 0.0 111.143 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.51 132.01 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 1.4 tmmt? -80.97 108.67 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 121.17 67.0 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.538 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.81 166.09 19.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.782 2.321 . . . . 0.0 112.797 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 76' ' ' GLN . 17.6 mt-30 55.65 21.02 4.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.14 -143.72 36.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.298 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HE3' HD13 ' A' ' 86' ' ' ILE . 15.6 tppt? -146.93 -58.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -103.16 -66.87 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -139.58 12.6 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.297 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.21 -173.44 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.208 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 t -124.42 -31.53 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.415 ' HB2' HD11 ' A' ' 107' ' ' LEU . 17.8 m-85 -123.56 106.06 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.951 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 78' ' ' LYS . 56.1 t -129.81 144.1 39.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 111.849 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -125.91 127.49 46.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.531 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.536 HG12 ' HG3' ' A' ' 98' ' ' GLU . 77.4 mt -100.0 144.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.165 0.507 . . . . 0.0 112.061 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.0 mt -107.63 129.96 54.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.335 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.0 mt-10 -114.78 108.85 48.31 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.8 Cg_endo -58.67 153.4 49.61 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.617 2.211 . . . . 0.0 112.777 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -123.55 2.34 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.523 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 31.7 mt-30 -58.82 -56.09 26.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -76.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.23 36.59 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -73.16 160.06 83.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.535 0.207 . . . . 0.0 110.782 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.48 154.88 14.02 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.718 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.65 167.83 16.55 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.78 2.32 . . . . 0.0 112.265 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG11 ' HE1' ' A' ' 20' ' ' MET . 41.2 t -137.48 133.15 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.536 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.26 140.55 33.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -128.57 158.69 37.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.326 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.13 156.2 28.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.918 0.39 . . . . 0.0 111.97 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 37.2 p -124.0 -168.05 1.73 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -123.14 -3.62 8.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -143.18 171.83 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -45.13 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.224 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.38 -46.21 81.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.39 -35.68 76.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.496 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.6 tp -63.39 -56.01 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.976 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.622 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 12.3 m-85 -63.88 -27.05 68.89 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.579 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -75.19 -57.88 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -67.96 -40.25 83.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 15.8 m-85 -75.3 -30.39 60.35 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.622 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 12.0 tt0 -66.92 -40.48 87.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 86.6 p -65.84 -48.32 72.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.74 -35.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.45 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 75.9 mtt180 -76.59 -30.53 57.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.477 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 28.6 mt-10 -60.83 -20.55 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.415 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.1 mt -108.64 -31.47 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -98.88 -62.06 1.29 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 111.444 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.0 t-105 -54.98 -27.62 45.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.249 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -145.9 143.11 29.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 121' ' ' ILE . 4.4 mp -120.94 101.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -137.31 20.32 2.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.1 t -67.22 -21.36 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.021 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 12' ' ' HIS . 55.5 mtpt 61.63 107.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -129.31 -46.27 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.01 -52.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 77.4 m-70 60.27 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.128 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.05 113.38 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' HB2' HD12 ' A' ' 35' ' ' ILE . 12.9 mm100 -73.63 101.48 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.466 HE21 ' HB3' ' A' ' 34' ' ' ALA . 42.4 mt-30 -127.69 132.43 49.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 -130.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.38 147.59 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 6.7 mt -146.66 168.89 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.54 115.08 16.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.746 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.508 ' HE3' HG11 ' A' ' 97' ' ' VAL . 48.1 mtp -111.06 145.16 39.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.518 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 45.1 t-105 -64.84 109.62 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.656 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.24 100.76 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t -73.34 0.54 11.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.922 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.8 mm -88.25 -61.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.66 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.09 -5.56 47.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 7.9 mp0 57.83 72.75 0.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.556 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -170.04 171.17 7.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -94.6 112.31 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -99.9 139.92 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -89.68 121.67 32.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.547 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.48 139.88 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.383 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -76.29 100.24 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.232 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' HB3' HD12 ' A' ' 40' ' ' LEU . 52.3 m -84.46 159.8 20.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB3' HE21 ' A' ' 15' ' ' GLN . . . -164.9 116.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.561 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 14' ' ' GLN . 90.7 mt -88.28 115.37 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.265 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.32 117.46 34.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.621 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.41 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 117' ' ' ILE . . . -138.89 -23.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.624 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 56.4 mttp -90.01 167.29 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.493 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 33' ' ' CYS . 46.1 tp -116.77 146.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.227 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 p -130.94 115.11 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -101.61 133.31 46.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.725 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -92.05 163.58 13.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -61.71 165.03 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.612 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.27 130.91 27.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 pt -93.86 8.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HG3' ' HG2' ' A' ' 48' ' ' GLN . 8.1 pt-20 -157.74 -36.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 84.9 mm-40 -101.17 40.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.735 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -49.96 128.52 18.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.1 mtp -94.18 17.36 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.28 108.42 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.205 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -79.49 -67.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.34 11.72 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.386 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 28.1 m-80 57.97 66.75 2.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 4.7 Cg_exo -77.73 19.4 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.966 2.444 . . . . 0.0 112.266 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp 60.48 98.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.21 143.83 18.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.649 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.3 m -98.17 -178.75 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.816 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -70.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.69 99.11 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -82.14 -22.88 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.27 165.86 34.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 73.7 mt -132.97 141.46 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -117.26 93.38 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.195 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 1.4 p-10 -57.75 104.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -82.62 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -109.67 16.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.9 t -165.26 24.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.541 ' HB3' HD21 ' A' ' 87' ' ' LEU . 9.8 m-85 -114.92 171.46 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.941 0.4 . . . . 0.0 110.787 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.6 m-20 -130.96 126.64 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.174 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' HB ' ' HG2' ' A' ' 115' ' ' ARG . 25.1 t -95.93 137.12 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -139.23 123.59 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.882 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -75.58 104.87 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.724 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -79.45 120.81 81.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_endo -81.68 -64.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.101 2.534 . . . . 0.0 113.026 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -52.23 -21.49 3.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.362 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.77 -152.31 17.79 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.596 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 14.3 tppt? -151.11 -70.9 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 0.0 111.322 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -121.07 90.21 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.53 13.28 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -104.57 163.74 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.167 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.5 p -108.44 -41.92 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.427 ' CB ' HD11 ' A' ' 107' ' ' LEU . 6.0 m-85 -110.28 109.7 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.422 HG12 ' HB2' ' A' ' 78' ' ' LYS . 45.8 t -133.35 148.94 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.588 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 15.4 m-85 -130.35 121.72 26.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.0 mt -99.93 141.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.127 0.489 . . . . 0.0 112.285 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 69' ' ' TYR . 13.2 mt -104.41 133.49 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.0 mt-10 -121.22 109.88 34.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.8 Cg_endo -60.36 157.67 34.78 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.424 2.082 . . . . 0.0 112.495 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -126.31 -1.16 6.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.35 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.446 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.2 mt-30 -56.63 -59.06 5.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -168.62 -75.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.25 35.27 2.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.282 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -69.98 160.25 81.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.483 0.182 . . . . 0.0 110.715 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.5 153.95 15.85 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.751 2.301 . . . . 0.0 112.863 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.28 168.12 15.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.508 HG11 ' HE3' ' A' ' 20' ' ' MET . 46.9 t -138.73 123.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.245 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 1.2 mp0 -93.64 144.99 24.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.41 159.73 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.29 142.42 15.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.866 0.365 . . . . 0.0 111.76 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -115.23 -169.57 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -114.2 -25.52 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -128.04 169.16 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.3 -32.39 16.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.73 -53.14 36.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.587 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.12 -27.98 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.174 0.511 . . . . 0.0 110.054 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.458 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.9 tp -67.71 -56.49 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.43 -27.73 68.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.612 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.1 tp10 -73.82 -58.18 3.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.895 0.378 . . . . 0.0 111.836 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -67.76 -49.07 64.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.458 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 33.9 m-85 -67.52 -34.45 77.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.4 tm0? -67.0 -33.14 74.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -70.18 -46.33 64.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.918 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.86 -33.72 42.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.505 ' HG2' ' HB ' ' A' ' 71' ' ' VAL . 86.4 mtt180 -76.03 -35.65 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.883 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.26 -18.11 24.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.005 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 38' ' ' ALA . 73.5 mt -101.07 -21.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.959 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.2 p -110.23 -58.17 2.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.409 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 6.6 m95 -56.28 -30.07 61.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.745 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -121.03 139.77 52.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mt -119.76 -145.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -126.15 113.99 17.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.3 t -105.85 146.08 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.946 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -94.2 127.27 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -85.25 175.17 9.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -98.3 127.18 44.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.78 -75.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -150.34 129.66 12.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -95.55 110.19 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.511 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 3.8 pt20 -145.1 148.14 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.61 -122.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.587 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.18 147.41 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.386 . . . . 0.0 111.133 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -151.25 165.49 33.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -116.37 123.85 48.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.455 ' HE3' HG13 ' A' ' 97' ' ' VAL . 77.8 mtp -121.32 146.99 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -60.05 129.42 41.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.303 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -112.06 100.44 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.49 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 p -72.03 -8.81 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -59.86 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -104.47 0.49 28.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.282 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.24 69.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -171.4 178.72 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.696 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -100.16 141.55 32.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 111.08 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -132.43 166.98 20.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -97.05 120.96 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.215 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -121.1 159.18 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.259 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -107.44 99.72 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.647 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' HB3' HD13 ' A' ' 40' ' ' LEU . 74.2 m -90.85 167.04 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.277 0.56 . . . . 0.0 111.889 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -168.09 118.06 0.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.32 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.37 122.72 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.08 121.1 39.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 64.34 -81.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.253 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 66' ' ' LEU . . . -149.8 25.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.443 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.3 mttt -133.76 149.2 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.112 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 33' ' ' CYS . 42.8 tp -107.63 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.3 p -108.31 129.02 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 111.223 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -113.39 133.69 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.568 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -96.12 177.11 5.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.959 0.409 . . . . 0.0 111.361 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.0 p-10 -73.11 165.46 24.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.78 139.62 9.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.823 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -92.54 -25.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -133.17 -31.07 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -89.97 31.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.8 p -53.13 126.62 21.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.453 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.3 mmt -115.85 95.87 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -140.53 128.33 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -67.19 -64.77 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.64 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -117.57 16.93 14.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.651 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 56.58 68.88 1.97 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.692 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.43 -58.17 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.726 2.284 . . . . 0.0 112.183 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.0 tp -146.29 148.19 32.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.54 57.24 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p -65.83 157.95 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.5 -71.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.0 p -60.45 94.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.525 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 32.0 mmt180 -86.38 5.45 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.621 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.76 160.47 9.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.3 mt -142.64 125.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 66' ' ' LEU . 3.8 mm? -93.72 95.34 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.139 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -63.39 98.14 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 64' ' ' LEU . 3.7 mm? -50.61 -39.54 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.871 0.367 . . . . 0.0 111.246 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -59.19 -1.14 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.199 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.459 ' H ' ' C ' ' A' ' 66' ' ' LEU . 17.0 p -145.27 35.55 1.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -147.46 171.09 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 111.078 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.549 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.1 m-80 -132.17 168.99 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.842 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.38 137.19 57.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.473 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.17 121.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.872 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 6.0 tmmm? -75.46 104.85 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.707 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' HB2' ' HB ' ' A' ' 84' ' ' VAL . . . -72.63 120.94 83.44 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.959 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.505 ' HB2' ' H ' ' A' ' 76' ' ' GLN . 71.4 Cg_exo -48.02 -94.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.215 2.61 . . . . 0.0 113.798 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.505 ' H ' ' HB2' ' A' ' 75' ' ' PRO . 61.5 tt0 -93.29 64.96 3.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 111.176 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 47.92 -154.85 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.816 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.427 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 38.3 ttpt -146.44 -64.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.01 -76.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -139.69 9.65 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.427 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -94.04 176.45 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.265 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.2 p -123.65 -21.05 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.299 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.59 103.3 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.411 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 53.7 t -128.71 155.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.5 m-85 -135.97 120.0 17.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.142 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.531 HG12 ' HG3' ' A' ' 98' ' ' GLU . 63.2 mt -99.85 139.72 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.141 0.496 . . . . 0.0 112.321 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 41.2 mt -98.22 134.45 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.055 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.2 mt-10 -119.47 109.89 37.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.008 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 18.6 Cg_endo -58.11 158.68 20.88 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.73 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -125.68 -0.2 7.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.475 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.54 -62.17 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' HG3' ' H ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -161.03 -89.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' H ' ' HG3' ' A' ' 92' ' ' GLN . . . -124.34 21.91 6.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.063 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.34 158.54 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.27 154.1 14.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.713 2.276 . . . . 0.0 112.871 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.05 168.13 13.77 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.803 2.336 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.478 HG23 HD11 ' A' ' 64' ' ' LEU . 39.5 t -133.22 130.76 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.025 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -98.96 141.39 31.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.958 0.408 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' HG12 ' A' ' 84' ' ' VAL . 33.9 m-85 -129.34 159.92 34.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.374 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.2 161.28 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 0.0 111.82 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -133.53 -174.04 3.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.728 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -119.01 0.02 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -144.97 161.65 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -78.43 -31.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.25 -51.78 28.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.663 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.92 -29.4 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.1 tp -63.55 -56.66 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -64.29 -40.47 96.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.552 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.8 -58.53 7.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.47 -49.39 60.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -68.15 -30.53 69.67 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.31 -33.82 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.8 t -68.99 -44.4 72.92 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.155 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 66' ' ' LEU . 59.2 mt -59.72 -36.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 71.7 mtt180 -76.66 -28.31 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.371 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.55 ' HG2' HG13 ' A' ' 121' ' ' ILE . 17.6 mt-10 -56.63 -18.29 11.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.932 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -108.95 -24.24 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.986 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.4 p -123.65 26.66 7.66 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 66.6 t-105 -140.13 -9.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.589 0.233 . . . . 0.0 111.247 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? 61.86 115.25 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.55 HG13 ' HG2' ' A' ' 116' ' ' GLU . 11.8 mm -111.64 96.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.997 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.09 135.81 41.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.7 p -134.25 132.26 39.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -90.84 123.05 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -134.94 -22.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.7 127.67 33.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -97.21 142.96 28.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.52 143.39 57.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -102.28 108.06 19.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -138.06 147.23 43.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.25 -130.5 1.98 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -124.36 153.29 42.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 mt -150.41 174.42 12.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -131.02 139.51 49.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.401 ' N ' ' HE2' ' A' ' 31' ' ' HIS . 82.0 mtp -132.15 151.73 51.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.612 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.0 t-105 -73.05 106.92 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.501 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -79.48 100.89 7.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -73.72 2.23 8.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.961 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.1 -61.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.529 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -94.68 -5.08 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.157 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 mp0 57.74 73.42 0.47 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.588 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -168.26 -175.5 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.727 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -111.7 110.59 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 146.54 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.15 121.52 31.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' HE2' ' N ' ' A' ' 20' ' ' MET . 7.5 p80 -126.82 139.72 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -77.44 106.62 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.33 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' HD12 ' A' ' 40' ' ' LEU . 34.7 m -91.98 157.56 16.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 111.682 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.41 114.64 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.328 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.65 116.98 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.6 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.99 120.28 40.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.723 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.65 -81.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -145.84 5.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.547 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -117.17 162.03 18.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.308 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 33' ' ' CYS . 19.5 tp -125.79 117.28 23.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 p -104.3 117.86 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -100.31 126.02 46.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -87.69 174.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.027 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -62.21 163.36 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.98 132.65 54.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 pt -87.07 6.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -163.28 -33.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -88.5 31.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -54.14 -47.48 71.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.0 mmm 60.75 12.62 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.257 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -138.03 118.39 13.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.942 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -126.4 -34.31 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' C ' ' HD3' ' A' ' 55' ' ' PRO . 9.6 m-20 -85.96 -34.35 20.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.186 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.559 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 7.7 t30 -138.82 58.1 12.76 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 2.6 Cg_endo -83.98 127.49 4.13 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.149 2.566 . . . . 0.0 112.11 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HB3' HH12 ' A' ' 61' ' ' ARG . 37.6 tp -61.04 -57.71 11.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.46 -137.95 13.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t 61.88 170.95 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -108.46 -72.85 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 p -60.75 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 HH12 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mmm180 -87.03 -11.86 49.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 169.93 161.75 20.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -135.2 142.75 39.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.218 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.0 tp -106.91 104.4 14.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.2 m-20 -49.91 -32.72 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD12 HD12 ' A' ' 117' ' ' ILE . 86.0 mt 55.72 14.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -107.04 -12.48 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.1 p -139.26 67.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.26 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -153.89 171.12 19.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.8 m-20 -136.95 129.35 29.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.88 125.89 48.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 111.184 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -132.19 123.72 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.017 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -72.44 104.83 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.4 120.91 73.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.0 Cg_exo -80.05 154.14 22.33 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.016 2.478 . . . . 0.0 112.652 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 54.36 19.99 2.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.63 -146.09 44.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.291 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -154.66 -36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.767 0.318 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -135.69 94.79 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 56.79 17.98 3.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -120.35 168.11 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.6 p -122.07 -38.68 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.331 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -110.62 98.89 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.048 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 99' ' ' PHE . 47.1 t -130.01 145.39 35.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.908 0.385 . . . . 0.0 111.848 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.442 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.7 m-85 -126.17 125.4 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.552 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.565 HG12 ' HG3' ' A' ' 98' ' ' GLU . 78.5 mt -99.76 140.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.267 0.556 . . . . 0.0 112.232 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 85.8 mt -104.42 128.76 52.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.321 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.1 mt-10 -114.47 112.4 46.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.727 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -59.22 128.97 29.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.506 2.137 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -81.45 9.37 7.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.67 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -65.86 -74.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.711 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.85 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.775 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -121.2 17.46 9.09 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.813 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.572 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -54.01 162.21 1.55 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.025 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 72.7 Cg_endo -73.78 147.52 39.78 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.992 2.461 . . . . 0.0 113.116 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -87.39 168.25 7.46 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.998 2.466 . . . . 0.0 112.082 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.24 124.34 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.565 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.97 145.85 24.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.29 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.427 ' O ' HG13 ' A' ' 84' ' ' VAL . 31.9 m-85 -132.97 156.68 46.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.234 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.45 166.78 32.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 111.776 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.3 p -140.38 -174.31 3.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.846 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.47 6.66 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -146.23 161.44 40.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -41.26 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.54 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.52 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.8 tp -63.63 -56.47 15.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.54 -39.65 91.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.409 -179.091 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.81 -57.92 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.987 0.422 . . . . 0.0 111.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -68.46 -49.1 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 12.3 m-85 -67.62 -30.75 70.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.41 -36.28 76.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.997 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.21 -34.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 13.5 mtt180 -76.39 -30.98 57.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.942 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 113' ' ' SER . 25.3 mt-10 -57.55 -18.75 21.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.033 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.451 HD12 HD12 ' A' ' 66' ' ' LEU . 61.5 mt -109.05 -29.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.7 p -115.19 20.13 15.15 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 76.5 t-105 -148.66 2.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -79.72 20.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.72 87.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.12 116.29 19.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.9 m -74.36 116.63 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.863 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.657 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.64 18.86 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.826 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -122.72 -27.42 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -89.42 -25.76 21.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 m80 59.8 99.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -146.38 108.2 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -99.0 119.09 37.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.434 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 29.3 tt0 -135.02 142.49 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.03 -136.58 3.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -120.1 160.81 22.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -162.92 176.01 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.709 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.437 ' HH ' ' HE ' ' A' ' 30' ' ' ARG . 62.9 m-85 -128.08 145.57 50.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.3 mtm -137.02 134.17 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.59 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.517 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -60.06 120.32 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.347 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -108.45 105.82 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.389 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 p -78.75 -0.67 31.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.05 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -34.79 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.616 ' HB3' ' HZ1' ' A' ' 27' ' ' LYS . 9.4 m-20 -127.9 0.09 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.904 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 51.11 70.0 0.58 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.176 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HZ1' ' HB3' ' A' ' 25' ' ' ASP . 3.8 ptpp? -164.31 176.4 9.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.259 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -112.85 111.05 21.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.672 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 p -102.08 158.69 15.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 37.3 ttm180 -97.8 121.9 40.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -119.3 160.16 22.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 60.2 t80 -98.37 95.46 7.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.538 ' HB3' HD13 ' A' ' 40' ' ' LEU . 94.4 m -84.79 158.9 20.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 0.0 111.884 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -167.64 121.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.313 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -88.29 117.2 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 111.282 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.822 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.85 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 117' ' ' ILE . . . -137.5 -18.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.738 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 54.9 mttp -95.25 173.87 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 33' ' ' CYS . 25.1 tp -126.77 117.65 23.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -100.28 120.7 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -99.88 135.01 41.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 42.8 t -96.62 176.72 5.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.383 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -76.92 165.81 24.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.75 145.64 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.84 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -112.01 8.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.292 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.54 -33.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -99.17 30.2 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.728 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -55.92 126.35 25.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.41 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.53 -69.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 45.6 mt-10 55.48 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.21 -71.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -97.45 16.86 18.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 11.2 m120 58.43 66.92 2.35 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.973 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.39 -164.68 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.76 2.306 . . . . 0.0 112.085 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.4 tp -77.57 112.21 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.27 86.39 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.638 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.9 t -99.5 154.17 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.24 -76.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.3 p -61.75 98.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 23.9 mmm180 -84.74 -1.97 56.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.672 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.4 166.84 18.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.56 137.45 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD23 ' HG ' ' A' ' 87' ' ' LEU . 18.7 tp -105.41 100.7 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.343 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.544 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -64.98 80.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.542 HD22 HG21 ' A' ' 114' ' ' ILE . 72.1 mt -50.48 -20.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.548 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -66.33 -39.13 89.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 p -105.32 43.79 1.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 19.2 m-85 -146.35 168.08 21.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.548 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 84.7 m-20 -132.81 136.29 46.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.391 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.51 131.86 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 111.792 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.481 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.37 120.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -75.81 104.84 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.575 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 120.39 79.15 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.384 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 77' ' ' GLY . 56.6 Cg_endo -84.89 -42.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.932 2.421 . . . . 0.0 113.225 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.59 25.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.894 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 56.65 -151.58 24.25 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.622 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 15.0 tppt? -151.37 -48.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.527 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 50.0 m-80 -152.49 99.14 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.676 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 59.39 12.27 2.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.0 167.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -118.32 -34.67 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.231 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -115.96 106.41 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 100' ' ' ALA . 41.9 t -136.45 146.71 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 111.717 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.514 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -123.08 155.81 36.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 ' HB ' HG22 ' A' ' 72' ' ' VAL . 52.8 mt -134.5 133.48 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HG ' HD23 ' A' ' 64' ' ' LEU . 3.9 mm? -93.66 127.63 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.526 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.3 mt-10 -111.29 110.38 56.04 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.521 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.29 126.05 16.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.442 2.095 . . . . 0.0 112.541 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -84.3 12.47 6.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -61.34 -71.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.85 27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.116 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.92 12.51 23.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.016 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.597 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -51.13 163.68 0.51 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 29.5 Cg_endo -60.68 142.25 97.3 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.012 2.475 . . . . 0.0 112.951 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.74 168.39 7.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.093 2.529 . . . . 0.0 112.333 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.91 133.64 65.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.622 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 2.0 mp0 -101.25 142.99 31.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.12 0.486 . . . . 0.0 111.738 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -132.29 156.7 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.151 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.18 154.59 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 0.0 111.663 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.414 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 41.0 p -119.77 -169.92 1.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -114.28 -21.08 10.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -130.63 169.31 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.26 -30.47 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.06 -54.04 14.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.16 -25.09 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.6 tp -68.54 -56.5 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.81 -27.6 67.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.526 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -70.77 -57.8 4.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.937 0.398 . . . . 0.0 111.643 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -69.84 -47.9 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 32.0 m-85 -67.39 -31.0 70.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.8 tm0? -69.88 -35.65 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 35.7 t -66.32 -48.3 70.76 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.927 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.542 HG21 HD22 ' A' ' 66' ' ' LEU . 48.8 mt -54.56 -34.23 28.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.585 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 83.6 mtt180 -76.65 -29.38 56.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.47 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 113' ' ' SER . 27.4 mt-10 -59.28 -20.17 52.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.509 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' A' ' 66' ' ' LEU . 2.8 mp -91.71 -44.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.561 HG21 ' H ' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -100.64 -60.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 76.0 t-105 -55.3 -28.3 52.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -106.06 146.17 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.56 102.63 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.47 131.76 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 62.5 m 61.17 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.21 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.036 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -63.77 137.4 58.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.72 12.73 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 59.9 100.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -140.35 111.61 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -116.18 132.32 56.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -97.78 113.67 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -134.22 139.35 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.714 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.65 0.75 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -139.48 148.35 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.406 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 mt -149.02 178.83 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.674 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.98 143.32 50.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.026 0.441 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.409 ' HG3' ' HE2' ' A' ' 31' ' ' HIS . 80.2 mtp -130.1 154.31 47.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.791 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -78.66 132.12 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -117.99 101.59 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.355 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 p -73.79 -5.89 43.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.0 -51.45 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.21 -0.33 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.215 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 55.09 69.76 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.66 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HE2' ' HE3' ' A' ' 50' ' ' MET . 22.6 pttp -167.74 176.06 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.735 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -105.46 131.05 53.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.404 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 59.5 p -113.49 144.06 43.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -88.44 121.68 31.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.754 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' HE2' ' HG3' ' A' ' 20' ' ' MET . 8.4 p80 -130.7 134.77 47.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -74.04 104.27 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.322 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HB3' HD13 ' A' ' 40' ' ' LEU . 60.0 m -84.82 157.43 20.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.142 0.496 . . . . 0.0 111.62 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.36 114.58 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.285 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.5 107.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.514 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.19 120.14 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.713 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 63.71 -84.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.79 -10.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 94.9 mttt -106.26 146.54 30.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.96 0.41 . . . . 0.0 111.579 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 33' ' ' CYS . 13.6 tp -107.64 116.83 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.186 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 m -109.25 116.55 32.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 111.317 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -98.92 138.65 35.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -89.33 173.48 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.14 165.8 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 3.8 m-20 -46.1 141.9 3.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 pt -108.74 3.76 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -160.96 -35.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HG3' ' HE1' ' A' ' 50' ' ' MET . 17.1 tp60 -93.25 28.65 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.7 p -55.34 119.3 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.512 ' HE3' ' HE2' ' A' ' 27' ' ' LYS . 24.3 mmt -104.19 96.36 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HB2' HD21 ' A' ' 54' ' ' ASN . 43.8 mt-10 -140.02 140.31 36.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -86.31 -46.8 9.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -120.94 10.75 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.262 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.437 HD21 ' HB2' ' A' ' 51' ' ' GLU . 8.9 m120 59.33 64.64 2.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 12.6 Cg_exo -70.67 -164.7 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.73 2.287 . . . . 0.0 112.037 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.6 tp -64.83 126.37 27.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.719 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.93 -41.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.753 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 57.94 -169.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.2 tp -96.64 -73.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.74 111.79 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -92.49 -30.89 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.96 163.93 37.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -133.68 143.76 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -112.91 105.6 13.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.074 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.4 p30 -47.1 -39.62 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.7 mt 61.54 5.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -101.59 -12.2 18.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.922 0.392 . . . . 0.0 110.47 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' PRO . 80.4 p -138.92 69.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -155.8 170.38 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.048 0.451 . . . . 0.0 110.965 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 52.7 m-80 -137.25 129.83 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.84 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.89 126.11 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -133.4 120.93 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.888 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.82 104.79 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.44 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.45 121.07 73.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 4.2 Cg_exo -80.68 157.2 21.5 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.986 2.457 . . . . 0.0 112.465 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 55.33 18.03 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.38 -148.33 44.16 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.247 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -153.62 -34.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.726 0.298 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -141.17 97.02 3.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.957 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 56.54 18.98 3.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 67.6 mmtt -123.09 167.84 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -121.02 -38.57 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.427 ' HB3' HD11 ' A' ' 107' ' ' LEU . 10.1 m-85 -111.45 100.99 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.044 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG11 ' O ' ' A' ' 99' ' ' PHE . 57.3 t -131.57 144.47 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.799 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.1 m-85 -123.76 127.79 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.596 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.564 HG12 ' HG3' ' A' ' 98' ' ' GLU . 80.2 mt -100.84 138.81 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.206 0.527 . . . . 0.0 112.141 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 77.9 mt -104.52 126.56 51.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.401 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.4 mt-10 -112.21 105.83 56.19 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.55 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 68' ' ' THR . 26.4 Cg_endo -60.38 140.18 90.38 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.593 2.195 . . . . 0.0 112.745 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -103.59 8.96 37.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.32 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' A' ' 92' ' ' GLN . 8.7 tt0 -65.36 -57.4 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.609 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 10.6 pt20 -177.18 67.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.276 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.38 9.83 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.81 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.573 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 2.0 m-20 -45.73 161.16 0.26 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.448 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 30.0 Cg_endo -61.06 146.56 97.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.001 2.468 . . . . 0.0 112.772 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -85.75 168.16 9.68 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.793 2.328 . . . . 0.0 112.282 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 t -134.4 124.91 46.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -93.21 147.82 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' O ' HG11 ' A' ' 84' ' ' VAL . 29.3 m-85 -134.49 155.31 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -150.27 166.44 29.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 111.849 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 24.0 p -139.57 -169.76 2.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.32 0.7 6.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -144.21 166.25 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.36 -40.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.277 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.92 -47.14 72.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.08 -33.26 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.092 0.473 . . . . 0.0 110.003 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.9 tp -66.76 -56.19 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.367 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 3.4 m-85 -63.96 -27.77 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.822 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -76.96 -58.07 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -68.05 -40.4 82.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 27.9 m-85 -75.23 -32.32 61.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.15 -29.11 65.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.106 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.1 m -74.0 -51.19 16.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.307 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.9 -40.12 34.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 45.6 ttt180 -68.97 -40.95 78.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.759 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 -17.8 14.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 mt -106.01 -21.36 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.877 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -111.27 7.27 21.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.007 0.432 . . . . 0.0 111.189 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.558 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 5.7 m95 -133.81 33.68 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.756 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.632 ' HZ2' ' HB3' ' A' ' 120' ' ' LYS . 7.9 mtpm? -80.58 20.64 0.7 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 121' ' ' ILE . 4.0 mp -91.28 91.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.785 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.51 127.92 34.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.4 p -76.95 130.88 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.004 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -90.03 126.76 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -139.18 151.02 46.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.31 110.33 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -135.5 -64.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 59.82 101.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.623 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.4 mm100 -66.51 100.92 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.472 HE21 ' HB1' ' A' ' 34' ' ' ALA . 41.8 mt-30 -125.55 131.81 52.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.9 -133.37 2.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.06 135.91 46.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.81 165.1 27.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -112.49 137.82 50.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HE1' HG13 ' A' ' 97' ' ' VAL . 79.5 mtp -131.38 146.73 52.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.704 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -65.93 125.93 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.501 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.59 94.44 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.3 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 t -70.65 -6.77 39.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.213 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.0 -41.29 92.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.426 0.632 . . . . 0.0 109.537 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.94 -0.01 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.085 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 52.57 74.03 0.31 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.815 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -169.71 175.92 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.882 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -102.8 125.81 49.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.67 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' ' NE2' ' A' ' 48' ' ' GLN . 23.3 p -119.46 164.59 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -95.61 130.72 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.71 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -129.29 151.4 49.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 78.8 t80 -95.68 95.88 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.807 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.9 m -87.14 161.2 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.246 0.546 . . . . 0.0 111.654 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.86 117.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.305 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 14' ' ' GLN . 73.6 mt -88.41 109.65 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 111.386 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.02 127.04 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.65 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -139.39 -5.14 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.641 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HZ1' ' HB3' ' A' ' 65' ' ' ASP . 52.3 mttm -107.61 152.8 23.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.8 tp -107.57 116.33 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 117.53 34.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.796 0.332 . . . . 0.0 111.25 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.89 135.68 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.456 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 44.2 t -95.67 162.53 13.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.295 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.562 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -65.85 165.49 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.781 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.531 ' HB2' ' HA ' ' A' ' 49' ' ' THR . 16.0 m-20 -48.67 152.71 0.92 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -115.3 -23.3 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.483 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 10.2 pt-20 -127.29 -31.19 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.153 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.511 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mt-30 -106.37 38.26 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 79.6 p -56.12 140.91 42.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.373 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mtt -96.17 10.64 37.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.9 mt-10 -58.67 129.24 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.82 -64.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -112.61 14.6 20.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 1.9 m-20 56.43 66.44 3.37 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.863 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.9 -58.37 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.713 2.275 . . . . 0.0 112.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -162.48 140.13 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -137.32 72.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.6 t -77.29 158.73 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 163.11 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.8 m 60.85 98.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.251 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.4 tpt180 -92.96 -29.74 15.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.488 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.91 153.3 22.44 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.179 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.6 143.63 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 111.372 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD12 HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -115.71 93.0 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.175 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.527 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -55.16 98.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.507 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 64' ' ' LEU . 79.7 mt -74.14 22.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.495 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.7 m120 -107.24 -13.16 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.3 p -138.97 63.03 1.52 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.594 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.9 171.51 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.1 m-20 -137.51 131.24 31.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.9 t -96.35 129.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.399 . . . . 0.0 111.404 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -134.74 120.78 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.865 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -74.99 105.05 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.17 121.21 76.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.572 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.4 158.5 29.3 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.787 2.325 . . . . 0.0 112.778 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 58.73 11.03 1.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.05 -172.94 4.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.536 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -136.71 151.94 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.558 0.218 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 67.98 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -143.37 17.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -104.99 174.99 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.4 p -120.46 -26.21 5.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.155 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -127.12 101.91 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.572 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.6 t -130.04 147.49 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.1 m-85 -123.81 151.28 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.989 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.54 HG12 ' HG3' ' A' ' 98' ' ' GLU . 69.6 mt -128.27 134.93 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.236 0.541 . . . . 0.0 112.335 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 HD11 HD13 ' A' ' 64' ' ' LEU . 31.4 mt -97.82 126.79 43.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.492 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.1 mt-10 -113.59 110.56 49.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.514 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -56.08 149.36 53.7 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.58 2.187 . . . . 0.0 112.764 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -116.46 3.49 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.397 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 34.7 mt-30 -66.61 -64.05 0.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HG3' ' H ' ' A' ' 93' ' ' GLY . 2.3 pt20 -159.9 -91.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 92' ' ' GLN . . . -122.69 21.98 7.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.073 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.55 159.17 2.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.553 0.216 . . . . 0.0 110.801 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.02 153.31 16.79 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.692 2.261 . . . . 0.0 112.962 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.92 168.18 12.38 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.895 2.396 . . . . 0.0 112.242 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.424 HG13 ' HE1' ' A' ' 20' ' ' MET . 48.2 t -137.08 127.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.54 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -96.28 143.65 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -130.86 162.76 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.04 155.25 27.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 111.8 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -130.35 179.3 6.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.797 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -115.57 5.58 14.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.86 155.98 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 p -77.95 -30.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.07 -51.62 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.46 -27.32 65.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.046 0.45 . . . . 0.0 109.999 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 111' ' ' PHE . 2.9 tp -66.4 -56.85 9.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.568 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.92 -27.46 66.65 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.155 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.63 -58.15 3.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.813 0.339 . . . . 0.0 111.903 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 107' ' ' LEU . 36.8 m-85 -66.22 -45.88 79.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 7.5 tp60 -58.75 -38.15 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.859 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 t -66.82 -48.71 68.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.84 -34.98 20.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 41.9 ttt180 -75.73 -37.69 59.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.809 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 37.2 mt-10 -60.51 -18.14 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.205 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -21.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.194 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -102.85 -57.15 2.1 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.516 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 3.2 m95 -56.68 -34.72 67.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.709 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -131.99 145.06 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 mm -99.11 -143.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -162.03 163.58 28.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.688 0.28 . . . . 0.0 110.741 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.3 p 50.41 -166.3 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.465 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.4 tptt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.87 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.675 0.274 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 6.5 ttpm? 59.85 100.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 60.45 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.31 170.47 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -138.31 107.4 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -138.63 147.04 42.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 35' ' ' ILE . 11.5 mm100 -76.66 100.68 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.05 135.51 47.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.533 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.13 -135.32 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.725 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -128.0 136.18 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.016 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -135.43 161.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -104.42 139.33 39.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.447 ' HE2' HG12 ' A' ' 97' ' ' VAL . 77.6 mtp -136.44 138.26 41.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.718 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.21 126.8 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.18 103.62 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.294 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.3 p -77.34 -2.65 36.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.438 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.61 -46.68 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.438 . . . . 0.0 110.337 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.5 -0.19 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.052 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 54.8 72.46 0.47 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HE3' ' HG3' ' A' ' 50' ' ' MET . 25.3 pttm -171.46 176.96 3.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.848 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -105.52 131.88 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -125.26 168.21 13.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -95.63 124.01 39.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.697 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -120.36 144.89 47.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.74 96.27 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.509 ' HB2' HD13 ' A' ' 40' ' ' LEU . 10.2 p -106.85 167.1 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 0.0 111.832 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.39 131.44 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.623 HD13 ' HB2' ' A' ' 14' ' ' GLN . 67.1 mt -88.66 109.42 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 111.403 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 119.6 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.69 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.18 -83.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.93 -14.73 1.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.805 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.6 mttp -97.17 148.75 22.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.042 0.448 . . . . 0.0 111.834 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 33' ' ' CYS . 38.0 tp -109.98 117.16 33.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.758 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -110.27 122.18 47.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.0 p90 -108.05 143.8 36.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -97.8 175.8 6.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.41 165.38 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -51.19 147.61 5.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 pt -113.33 1.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.51 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 11.0 pt-20 -162.26 -34.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 49.7 mt-30 -98.9 34.27 2.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' HG3' ' A' ' 51' ' ' GLU . 67.4 p -55.74 -53.25 58.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.441 ' HG3' ' HE3' ' A' ' 27' ' ' LYS . 26.0 mmt 56.26 30.87 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.534 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 44.5 mt-10 -54.68 136.96 45.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.83 -63.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -114.98 16.15 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.53 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 57.59 69.98 1.44 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.769 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.67 -161.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.806 2.337 . . . . 0.0 112.113 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.92 -70.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.74 77.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 m -99.7 178.93 4.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 151.89 45.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t 58.79 92.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.6 mmp_? -92.18 -5.3 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.673 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.0 157.69 17.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -141.16 125.47 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.639 0.257 . . . . 0.0 111.373 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -87.67 109.08 19.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.572 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.2 m-20 -49.3 -26.79 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.449 HD13 HD11 ' A' ' 117' ' ' ILE . 76.6 mt 56.14 14.2 1.42 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -110.29 -12.89 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.1 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.3 p -142.23 64.95 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -151.08 171.33 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.605 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 55.3 m-80 -135.65 129.25 32.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.101 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.6 t -96.35 133.11 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.218 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -138.46 120.61 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.05 104.66 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.793 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 84' ' ' VAL . . . -70.87 120.53 79.79 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 77' ' ' GLY . 11.2 Cg_exo -71.2 -66.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.936 2.424 . . . . 0.0 112.924 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.63 30.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.889 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 54.49 -146.07 26.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.138 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HD2' HD11 ' A' ' 86' ' ' ILE . 15.4 mtpp -155.87 -44.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.677 0.275 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -140.2 98.5 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.323 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 53.86 18.74 1.69 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.422 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 100' ' ' ALA . 70.4 mmtt -120.98 160.69 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.223 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -112.3 -48.22 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.208 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -101.32 100.73 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.956 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.534 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 41.8 t -126.09 154.88 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 28.3 m-85 -136.17 129.68 32.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.241 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.515 HG12 ' HG3' ' A' ' 98' ' ' GLU . 43.6 mt -110.79 136.21 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.2 mt -99.44 125.97 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.572 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.3 mt-10 -112.18 106.5 56.09 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.48 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.6 Cg_endo -57.09 154.54 33.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.929 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -126.82 1.4 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.547 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.436 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 57.9 tt0 -62.11 -56.88 14.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -166.37 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -134.97 29.04 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.202 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.91 159.68 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.58 0.229 . . . . 0.0 110.654 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 81.5 Cg_endo -86.85 143.66 7.1 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.809 2.339 . . . . 0.0 112.956 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.8 Cg_exo -70.66 167.37 25.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.818 2.345 . . . . 0.0 111.829 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.447 HG12 ' HE2' ' A' ' 20' ' ' MET . 43.7 t -139.74 126.01 22.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.773 0.32 . . . . 0.0 111.353 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.515 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.67 143.26 26.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -130.24 161.36 31.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.635 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' A' ' 81' ' ' LYS . . . -159.08 163.34 36.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 111.574 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.7 p -140.93 -170.44 3.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.9 3.62 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 2.7 mmp_? -145.87 151.03 37.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.008 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.92 -28.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -70.75 -53.01 17.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.15 -29.66 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.45 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 2.7 tp -67.61 -56.74 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.766 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -66.48 -27.64 67.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.537 -179.246 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.56 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -68.54 -49.54 58.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 40.4 m-85 -67.04 -41.55 86.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 21.6 tp60 -61.52 -35.71 78.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 64.8 m -68.1 -43.51 78.31 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.894 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.09 -33.96 47.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -76.44 -33.38 58.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.98 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HA ' ' HB3' ' A' ' 120' ' ' LYS . 29.7 mt-10 -57.79 -19.26 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.218 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.449 HD11 HD13 ' A' ' 66' ' ' LEU . 61.4 mt -108.83 -30.91 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.548 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.8 p -107.34 23.73 13.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.783 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.459 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 49.9 t-105 -162.65 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.652 0.263 . . . . 0.0 111.191 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 41.2 ttmt -102.53 143.4 32.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mm -116.75 99.43 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -136.18 105.4 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.3 p -140.54 -2.81 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.727 0.299 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 59.55 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.046 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.95 -37.2 72.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.39 110.15 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -150.33 107.79 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -102.97 139.35 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -98.3 115.83 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -139.91 142.21 36.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.37 -129.3 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.636 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.85 160.03 39.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -161.12 159.06 28.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.54 ' HH ' ' HE ' ' A' ' 30' ' ' ARG . 19.4 m-85 -109.48 135.36 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -132.24 139.89 48.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.708 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.574 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 44.2 t-105 -55.09 108.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.701 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.09 99.34 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -73.11 0.18 12.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.969 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.16 -62.02 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -93.98 -5.57 47.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.4 mp0 57.76 72.87 0.49 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.446 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -171.27 169.6 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -96.99 133.1 42.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -135.99 163.29 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 38.8 ttm180 -95.2 129.35 42.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.61 156.8 41.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' H ' ' HG ' ' A' ' 43' ' ' SER . 72.7 t80 -97.96 100.1 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.541 ' HB3' HD12 ' A' ' 40' ' ' LEU . 73.2 m -93.02 163.18 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.081 0.467 . . . . 0.0 111.799 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.77 123.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.79 123.54 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.384 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.02 138.49 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.115 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.25 45.25 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . 60.93 15.27 5.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.378 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.7 mttt -123.78 171.65 9.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 33' ' ' CYS . 35.3 tp -131.0 117.33 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.767 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -105.87 126.22 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -111.46 133.73 53.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 32' ' ' TYR . 87.4 p -87.93 177.1 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.315 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.41 165.82 16.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.679 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -43.38 117.05 1.03 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -85.14 -36.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -115.73 -27.58 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.02 30.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.4 p -49.13 116.7 1.78 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.3 mtm -95.25 1.48 54.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.31 148.51 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.05 -51.93 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.747 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -138.16 18.2 2.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 56.91 66.0 3.46 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.909 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.09 -60.65 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.641 2.227 . . . . 0.0 112.173 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.8 tp -142.73 110.59 5.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.59 86.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.6 m -65.15 147.98 52.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -68.47 -18.47 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 p -106.47 94.29 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.5 tpm_? -88.12 -20.39 25.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.46 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.03 155.93 12.79 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 34.3 mt -138.42 141.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 111.705 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 64' ' ' LEU . 3.4 mm? -99.92 111.57 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.92 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.3 m-20 -51.42 -27.23 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.4 mt 60.63 5.04 0.83 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.296 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.21 -8.44 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 62.1 p -141.76 57.14 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -150.52 171.42 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 53.1 m-80 -137.26 131.05 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.256 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.7 t -96.14 134.91 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -137.59 120.79 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -74.76 104.48 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.569 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB2' ' HB ' ' A' ' 84' ' ' VAL . . . -76.36 120.58 82.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.194 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.3 Cg_exo -78.04 -70.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.023 2.482 . . . . 0.0 112.745 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.04 -15.14 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.1 161.25 6.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.237 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -116.92 165.36 13.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.761 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 62.75 -92.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.254 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.6 OUTLIER -144.0 9.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.929 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -98.19 173.54 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -112.95 -61.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.27 98.45 11.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.751 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 90.0 t -125.15 154.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 111.684 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 19.7 m-85 -134.44 119.44 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.528 HG12 ' HG3' ' A' ' 98' ' ' GLU . 45.0 mt -100.0 139.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.3 mt -101.53 130.04 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.203 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.1 mt-10 -115.12 107.3 50.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.695 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.8 Cg_endo -57.76 153.17 44.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.589 2.193 . . . . 0.0 112.731 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -120.79 0.45 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.343 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.85 -63.1 1.42 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.52 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.12 21.89 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.965 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.27 158.0 2.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 88.2 Cg_endo -85.92 143.1 8.01 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.941 2.427 . . . . 0.0 112.84 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 11.8 Cg_exo -71.23 168.08 24.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.779 2.319 . . . . 0.0 111.952 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.08 127.04 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.5 mp0 -95.53 142.29 28.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 111.244 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.51 147.62 52.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.508 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.86 151.27 34.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.949 0.404 . . . . 0.0 111.762 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.8 p -121.6 -169.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.827 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.83 2.55 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -145.06 162.28 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.17 -32.94 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.98 -50.65 32.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.78 -28.64 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.3 tp -67.86 -56.41 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.953 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -66.63 -27.62 67.84 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.59 -179.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.26 -57.99 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 111.867 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -68.75 -46.41 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 30.3 m-85 -70.44 -31.0 67.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.12 -33.23 71.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 m -68.33 -45.27 73.36 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.014 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.2 -35.35 57.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-O 121.258 0.551 . . . . 0.0 109.525 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.47 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.9 mtt180 -76.13 -27.96 57.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.214 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.84 -18.82 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.233 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.7 mt -108.2 -31.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.402 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.5 p -98.15 -61.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 111.151 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 57.1 t-105 -60.29 -24.69 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -118.13 114.2 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.84 120.46 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.29 80.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.76 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.4 m -156.88 -59.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.617 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 110.817 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -92.24 179.98 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -121.13 117.77 28.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -94.08 122.54 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -96.35 4.19 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 60.39 104.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.245 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.525 ' HB2' HD12 ' A' ' 35' ' ' ILE . 13.8 mm100 -63.79 142.47 58.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.211 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.623 HE21 ' HH ' ' A' ' 32' ' ' TYR . 51.4 tt0 -169.14 137.75 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 167.79 -132.9 2.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.96 136.63 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -138.02 166.36 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -110.36 140.83 44.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.467 ' HE1' HG12 ' A' ' 97' ' ' VAL . 81.2 mtp -138.01 136.91 37.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -56.24 122.11 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.449 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -104.95 102.1 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.38 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 p -76.25 -3.51 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.88 -50.94 29.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.44 0.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.079 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 54.37 72.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.77 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HE2' HG21 ' A' ' 29' ' ' THR . 24.6 pttm -171.73 176.44 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -106.26 116.32 31.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.491 HG21 ' HE2' ' A' ' 27' ' ' LYS . 30.3 p -110.37 169.25 8.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -90.47 125.52 35.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -122.54 154.28 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' HH ' HE21 ' A' ' 15' ' ' GLN . 34.0 t80 -107.43 99.1 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.663 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB3' HD12 ' A' ' 40' ' ' LEU . 72.4 m -92.13 166.23 12.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.536 . . . . 0.0 111.936 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.86 119.77 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.269 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 14' ' ' GLN . 86.2 mt -88.57 114.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.098 0.475 . . . . 0.0 111.651 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.43 39.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.768 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 59.59 46.5 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.215 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 61.22 14.1 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.9 mttt -119.87 145.57 46.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 111.468 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 33' ' ' CYS . 26.9 tp -107.87 116.98 32.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -112.68 120.39 41.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.242 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -105.87 130.88 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -87.78 162.39 17.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.7 165.61 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.62 133.35 3.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.3 pt -98.78 -35.13 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.47 -26.05 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.98 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.1 19.3 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -54.77 142.52 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.7 mtp -129.76 17.89 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.37 170.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -79.1 -69.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -120.78 26.31 9.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.718 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 3.5 p-10 40.83 64.69 4.79 Favored Pre-proline 0 N--CA 1.462 0.162 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.301 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 25.2 Cg_exo -62.9 -59.94 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.674 2.249 . . . . 0.0 112.276 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -147.14 121.02 9.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.08 -39.68 4.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.7 p 50.4 -165.59 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 60' ' ' CYS . 23.8 tp -134.68 167.59 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 t 59.99 86.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -80.98 -28.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.493 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.57 161.06 34.81 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.066 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.75 135.74 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.582 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -103.17 108.96 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.871 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.564 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -49.22 -30.59 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.687 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.0 mt 62.08 4.78 1.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.54 -12.63 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.0 p -141.18 62.64 1.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.059 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -150.78 171.64 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.1 t -96.15 134.66 32.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.77 120.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.839 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.18 104.56 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.625 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' A' ' 84' ' ' VAL . . . -74.43 119.88 78.68 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.578 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 91.2 Cg_endo -80.82 -63.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.789 2.326 . . . . 0.0 113.415 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.578 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 66.4 mt-30 -60.14 -10.68 4.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.1 51.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.108 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HD2' HD12 ' A' ' 86' ' ' ILE . 45.1 mtpt -141.8 149.87 40.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 111.09 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.28 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.176 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -146.67 13.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.97 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -101.96 166.97 10.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.9 m -106.14 -56.17 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.048 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.41 105.14 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.781 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 79.4 t -127.5 153.97 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.883 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 24.3 m-85 -135.21 126.09 27.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 98' ' ' GLU . 48.0 mt -107.57 137.92 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.7 mt -99.43 128.32 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.285 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 41.6 mt-10 -114.56 108.14 49.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.625 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 16.2 Cg_endo -55.78 150.53 44.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.409 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -118.24 3.43 11.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.416 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.0 mt-30 -64.76 -61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HG3' ' H ' ' A' ' 93' ' ' GLY . 2.4 pt20 -162.13 -91.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 92' ' ' GLN . . . -122.68 22.13 7.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.963 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -54.42 158.44 4.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.613 0.244 . . . . 0.0 110.759 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.98 153.92 17.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.752 2.302 . . . . 0.0 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.85 168.23 9.52 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.968 2.445 . . . . 0.0 112.29 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 HG12 ' HE1' ' A' ' 20' ' ' MET . 47.0 t -135.32 133.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -100.99 140.56 35.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.411 ' O ' HG11 ' A' ' 84' ' ' VAL . 40.6 m-85 -129.28 158.41 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.54 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.03 153.23 23.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 36.4 p -121.74 -169.46 1.87 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -120.66 -10.6 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -138.55 166.69 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.0 -32.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.4 -49.39 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.17 -28.73 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.459 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.2 tp -67.19 -56.67 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.0 -27.54 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.566 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.446 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -73.55 -58.32 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.861 0.363 . . . . 0.0 111.836 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.42 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 23.5 m95 -67.64 -49.22 64.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 31.1 m-85 -66.44 -41.39 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.9 tm0? -59.83 -36.14 76.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -66.5 -43.97 83.86 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.921 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.61 -33.23 48.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.5 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 11.3 mtt180 -76.41 -29.99 57.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.019 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' SER . 31.2 mt-10 -63.03 -18.72 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.399 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 38' ' ' ALA . 65.5 mt -107.85 -30.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.599 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.444 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 69.6 p -101.35 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.3 t-105 -61.45 -21.25 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -125.09 162.87 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 69.2 mt -132.49 106.45 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.74 19.57 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 t -143.25 145.46 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.903 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.25 18.27 9.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.63 134.7 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.69 -71.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -162.28 20.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 4.2 mmmp? -56.57 124.34 17.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.962 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.466 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 1.4 mm-40 -133.11 142.44 48.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HG3' ' HB1' ' A' ' 34' ' ' ALA . 61.5 tt0 -167.08 137.36 3.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.64 -143.85 8.0 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.38 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.6 143.92 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.59 173.65 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.549 ' HH ' ' HE ' ' A' ' 30' ' ' ARG . 61.6 m-85 -126.39 138.55 53.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.507 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.9 mtp -134.83 147.61 49.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.648 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -64.97 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.68 104.07 10.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.447 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.8 p -74.51 -6.02 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.179 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mm -71.25 -49.15 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.43 1.92 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.099 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 51.05 68.19 0.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -166.51 178.84 5.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.992 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -106.11 113.25 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.766 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.523 HG23 HE22 ' A' ' 48' ' ' GLN . 80.4 p -99.93 163.54 12.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 33.2 ttm180 -104.81 121.77 44.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.61 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' HE2' ' N ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -130.4 135.76 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -73.84 96.75 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.182 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB3' HD12 ' A' ' 40' ' ' LEU . 71.6 m -85.67 159.92 19.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.448 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' A' ' 15' ' ' GLN . . . -167.39 125.06 1.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.9 mt -88.79 106.65 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.19 41.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.846 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.29 -83.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.29 2.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.585 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.0 mttt -115.69 150.48 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 111.444 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' A' ' 33' ' ' CYS . 27.7 tp -107.77 117.52 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.075 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -114.58 124.34 51.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 111.366 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -109.44 131.87 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.537 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -87.89 171.76 10.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.244 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.5 165.44 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 4.5 m-20 -45.25 138.56 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -99.96 11.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.398 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -163.39 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.523 HE22 HG23 ' A' ' 29' ' ' THR . 24.1 mt-30 -73.07 -33.98 65.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.774 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p 50.5 -81.01 0.01 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLN . 55.5 mtm 64.66 93.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.791 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.94 124.38 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -60.16 -50.89 71.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.26 21.53 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.575 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 55.29 69.61 1.92 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.657 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.29 -52.9 2.25 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.693 2.262 . . . . 0.0 112.413 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.2 tp -159.86 -66.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.72 55.64 1.99 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -64.76 173.55 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 tt -86.58 -74.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.706 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -62.39 106.74 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -95.91 -40.96 9.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.701 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.43 153.51 24.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.126 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 23.4 mt -142.43 137.64 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -98.31 113.28 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.931 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.0 m-20 -49.16 -34.33 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.2 mt 60.97 5.12 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.381 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.5 m120 -97.8 -19.35 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.05 0.452 . . . . 0.0 110.144 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.2 p -139.59 70.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.21 171.44 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.558 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.5 m-20 -138.9 130.9 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.264 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.0 t -95.99 129.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 0.0 111.138 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.9 OUTLIER -135.85 120.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.968 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.33 104.73 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.36 121.34 75.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.48 153.32 23.7 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.923 2.415 . . . . 0.0 112.597 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.24 23.23 4.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.94 -141.77 48.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.305 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -154.45 -39.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.73 0.3 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.19 -81.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -129.9 9.7 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -97.35 -174.34 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.192 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.0 m -131.16 -35.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.07 96.25 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.661 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 100' ' ' ALA . 40.2 t -125.75 146.29 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 112.047 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.482 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 18.5 m-85 -123.24 139.56 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.009 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 98' ' ' GLU . 67.2 mt -116.43 137.49 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 112.474 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.2 mt -99.74 128.17 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.485 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.3 mt-10 -115.38 109.13 46.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.496 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 12.4 Cg_endo -54.42 153.08 23.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.54 2.16 . . . . 0.0 112.595 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -120.92 1.44 10.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.2 tp-100 -64.06 -63.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.45 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.596 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.36 37.99 2.09 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.552 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.482 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -75.7 159.5 81.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.523 0.201 . . . . 0.0 110.595 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.19 153.22 16.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.686 2.257 . . . . 0.0 112.93 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.51 168.23 13.0 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.755 2.303 . . . . 0.0 112.211 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.507 HG13 ' HE3' ' A' ' 20' ' ' MET . 47.6 t -139.51 133.54 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 0.0 111.47 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.535 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.3 mp0 -102.5 143.01 32.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.234 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' HG12 ' A' ' 84' ' ' VAL . 38.0 m-85 -130.97 158.97 38.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.461 ' HB3' HG22 ' A' ' 84' ' ' VAL . . . -159.21 153.73 24.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.987 0.422 . . . . 0.0 111.9 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -121.31 -169.89 1.93 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.718 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -119.81 -1.68 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -146.42 164.13 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.01 -31.48 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.09 -52.01 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.56 -26.62 65.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 0.0 110.033 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 3.5 tp -67.84 -56.69 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -66.5 -27.4 67.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.517 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.89 -58.23 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.376 . . . . 0.0 111.863 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -68.37 -49.05 62.91 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -65.27 -42.59 93.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -58.98 -36.47 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 55.5 m -66.3 -42.97 87.56 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.799 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.46 -32.7 49.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 13.1 mtt180 -75.7 -29.82 59.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 113' ' ' SER . 34.5 mt-10 -65.75 -17.98 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.907 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.32 -31.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.7 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -108.38 -60.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 111.514 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 74.6 t-105 -58.91 -18.42 33.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.579 ' HG3' ' H ' ' A' ' 121' ' ' ILE . 19.8 tptm -83.36 174.31 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.579 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 64.2 mt 65.55 105.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.79 -174.16 4.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.4 t -75.46 -11.82 60.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 124' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -112.17 21.34 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 59.8 97.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 57.35 -172.78 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -141.83 143.21 33.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -97.2 101.88 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -102.53 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.76 146.66 47.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.32 -129.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.457 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -139.48 144.19 37.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.92 169.95 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.07 142.08 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.5 mtp -134.66 137.97 44.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -60.79 123.17 16.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.381 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.76 105.82 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 p -80.31 -0.36 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.246 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.97 -39.25 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.296 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.52 -0.43 8.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.892 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.78 72.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -169.81 176.09 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.924 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -106.23 132.91 51.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.731 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.447 HG21 ' HG3' ' A' ' 48' ' ' GLN . 71.1 p -130.53 165.0 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.49 121.53 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -119.65 129.22 54.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -73.94 103.33 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.276 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.535 ' HB3' HD11 ' A' ' 40' ' ' LEU . 92.4 m -93.96 160.66 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.653 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.27 117.47 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.71 123.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 111.441 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 139.48 20.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.31 43.82 19.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 61.11 16.89 7.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -123.92 170.31 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.6 tp -130.84 117.35 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' HG12 ' A' ' 63' ' ' ILE . 35.8 p -106.71 120.65 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -104.73 138.7 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.132 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.4 m -92.97 159.13 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.566 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.9 p-10 -61.26 165.76 4.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.762 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.14 121.74 5.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -95.8 -31.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.643 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -93.39 -47.96 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.447 ' HG3' HG21 ' A' ' 29' ' ' THR . 85.1 mm-40 -80.54 -43.49 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.731 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p 52.02 110.12 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.862 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.2 mmm -101.52 95.64 6.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.996 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 46.2 mt-10 -145.47 102.83 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.92 -57.89 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.775 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -119.01 17.96 13.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 16.9 m120 57.96 67.69 2.18 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.03 -59.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.727 2.285 . . . . 0.0 112.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.0 tp -164.0 103.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.44 54.29 4.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -63.04 172.63 1.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -87.19 -67.18 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -61.03 102.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.566 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 12.1 tpp180 -90.99 -13.92 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.39 154.57 8.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.959 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG12 ' HB3' ' A' ' 41' ' ' SER . 36.2 mt -135.43 142.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.643 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -104.06 110.73 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.912 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -50.97 -27.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 96.7 mt 60.03 4.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.7 m120 -99.15 -12.79 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.275 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.2 p -139.49 61.56 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 88' ' ' GLU . 20.3 m-85 -151.7 170.85 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.6 m-20 -137.97 130.85 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.383 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.4 125.92 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.158 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG21 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -132.13 121.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.961 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.61 ' HZ1' ' HB3' ' A' ' 73' ' ' LYS . 8.2 ttpm? -74.56 104.69 5.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.507 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -78.28 120.7 82.11 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.356 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_exo -76.38 156.7 37.02 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.998 2.465 . . . . 0.0 112.528 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 56.86 13.19 1.38 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.74 -171.26 5.89 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.445 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -139.9 154.84 47.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 110.726 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 65.84 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.994 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -144.68 18.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.9 176.2 5.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.444 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -119.76 -26.38 5.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.19 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.41 103.61 7.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.537 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' ALA . 40.7 t -129.9 148.65 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.4 m-85 -124.82 152.7 43.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.501 ' HB ' HG21 ' A' ' 72' ' ' VAL . 60.6 mt -130.19 133.58 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.33 125.7 41.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.475 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -113.69 111.66 48.68 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.886 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.85 127.77 23.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.435 2.09 . . . . 0.0 112.097 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.63 6.92 5.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' HG3' ' OD2' ' A' ' 94' ' ' ASP . 7.3 pt20 -110.13 115.59 30.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 41.35 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.371 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.9 47.13 2.04 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 7.8 m-20 -61.47 164.43 9.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 50.8 Cg_endo -65.69 142.51 70.71 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.318 2.679 . . . . 0.0 113.359 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.73 168.18 7.06 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.968 2.445 . . . . 0.0 111.892 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.1 128.06 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.752 0.31 . . . . 0.0 111.293 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -101.4 143.07 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.404 ' O ' HG11 ' A' ' 84' ' ' VAL . 47.3 m-85 -131.76 162.66 29.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.536 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.39 156.89 29.27 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.897 0.38 . . . . 0.0 111.599 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.415 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 37.1 p -124.32 -173.8 2.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.37 -11.98 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -141.31 171.82 13.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.984 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.23 -39.55 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.13 -52.35 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.73 -26.96 66.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.434 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.0 tp -68.5 -56.59 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -67.18 -27.61 67.42 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.584 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.05 -57.77 4.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.891 0.377 . . . . 0.0 111.677 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -69.21 -49.02 60.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 33.9 m-85 -66.66 -31.61 72.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.7 tm0? -70.35 -35.43 73.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 46.2 t -68.66 -49.07 62.01 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.407 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.9 mt -54.24 -34.86 28.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.499 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 56.9 ttt180 -76.48 -33.0 58.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.337 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.477 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 25.8 mt-10 -57.52 -19.14 22.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.821 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -109.05 -21.37 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.947 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.6 p -107.81 11.99 27.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 29.1 m95 -148.58 -41.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.948 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' HD2' ' HG2' ' A' ' 116' ' ' GLU . 66.8 mttm -100.81 149.92 23.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.8 mt -128.89 105.02 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.92 109.66 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.0 t -88.25 -13.9 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 58.94 -174.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.38 -40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 57.12 -171.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 62.59 112.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 62.16 107.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.274 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -96.16 106.01 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.373 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.444 HE21 ' HB1' ' A' ' 34' ' ' ALA . 47.1 mt-30 -123.47 143.2 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 -138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.346 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.24 144.94 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.47 166.27 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.55 137.58 52.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.451 ' HE2' HG11 ' A' ' 97' ' ' VAL . 83.8 mtp -130.73 131.69 44.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.78 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.6 t-105 -58.46 109.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.526 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.13 100.9 8.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -73.85 1.84 9.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.912 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mm -89.4 -61.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.77 -6.58 45.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.3 mp0 58.46 72.27 0.54 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.391 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -169.79 172.65 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.697 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -107.17 125.59 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.401 HG22 ' HG2' ' A' ' 48' ' ' GLN . 78.3 p -117.07 169.06 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -91.03 121.8 33.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -120.25 157.43 29.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 74.4 t80 -114.79 98.95 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.68 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.499 ' HB3' HD12 ' A' ' 40' ' ' LEU . 86.4 m -94.17 166.99 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.149 0.5 . . . . 0.0 111.854 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -166.91 117.56 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.487 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -88.65 132.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.001 0.429 . . . . 0.0 111.304 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.38 120.92 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 65.99 -80.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.29 14.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 88.4 mttt -121.99 142.14 50.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 111.557 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 33' ' ' CYS . 27.3 tp -107.67 117.03 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.739 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -111.7 121.38 44.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.541 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -108.21 138.77 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.386 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 88.1 p -92.96 163.65 13.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.391 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.511 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 21.0 t70 -72.06 165.67 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -42.07 115.43 0.67 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.73 -31.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.294 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.99 -28.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' A' ' 29' ' ' THR . 5.8 tp-100 -85.88 32.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -52.44 124.37 13.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.0 mtt -88.17 -1.36 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.12 156.83 26.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -59.6 -69.5 0.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.61 13.16 14.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 2.8 t-20 55.85 65.67 4.22 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 15.9 Cg_exo -68.43 -57.96 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.71 2.273 . . . . 0.0 112.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -108.86 177.56 4.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.19 117.87 1.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.602 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -99.7 168.98 9.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.804 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.72 -58.51 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -76.84 93.03 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.3 tpt180 -77.1 -23.92 51.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.89 150.56 12.57 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.713 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.4 mt -137.86 124.58 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -94.2 106.28 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.853 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.55 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.7 p-10 -53.74 -25.47 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.744 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.8 mt 62.49 5.14 1.53 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.442 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.497 HD21 ' HB2' ' A' ' 65' ' ' ASP . 53.3 m-80 -89.65 -4.36 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.718 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.42 HG22 ' OD2' ' A' ' 65' ' ' ASP . 4.3 t -153.65 63.86 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.377 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -151.76 171.2 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 89.8 m-20 -138.93 129.97 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.333 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.28 127.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.78 124.12 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.005 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -77.52 104.51 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.332 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -77.29 120.77 82.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.1 Cg_endo -82.17 -64.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.059 2.506 . . . . 0.0 112.786 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.05 -17.79 11.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.31 -159.1 22.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -138.93 -61.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.213 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -140.29 103.2 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 57.04 16.45 2.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.501 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -118.73 157.82 26.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.4 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -109.22 -49.4 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -100.44 104.34 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.865 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' ALA . 20.7 t -136.41 149.8 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 111.867 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.499 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -124.98 152.25 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.492 HG12 ' HG3' ' A' ' 98' ' ' GLU . 58.5 mt -131.0 134.53 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.1 mt -96.56 126.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.396 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.9 mt-10 -114.77 110.09 46.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.844 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -58.2 143.59 96.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.453 2.102 . . . . 0.0 112.294 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -107.43 5.68 27.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -75.52 -84.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 94' ' ' ASP . 13.3 pt20 -137.32 -139.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.25 33.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.339 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -63.17 155.96 71.0 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.543 0.211 . . . . 0.0 110.682 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.48 150.41 15.0 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.3 . . . . 0.0 112.985 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.52 168.36 9.93 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.879 2.386 . . . . 0.0 112.214 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.451 HG11 ' HE2' ' A' ' 20' ' ' MET . 41.8 t -133.52 131.84 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.222 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.492 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -101.33 142.56 32.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.011 0.434 . . . . 0.0 111.352 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -130.52 159.04 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.344 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.402 ' HB2' HG23 ' A' ' 84' ' ' VAL . . . -156.75 161.5 39.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.047 0.451 . . . . 0.0 111.822 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.511 ' HG1' ' HB2' ' A' ' 107' ' ' LEU . 77.7 p -132.68 -174.96 3.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.45 -3.26 9.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -146.6 162.74 37.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.771 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.71 -25.55 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.3 -53.26 14.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.02 -32.5 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.407 . . . . 0.0 110.314 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.511 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 3.1 tp -65.5 -56.35 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.66 -29.31 69.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.661 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.67 -58.01 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -68.73 -49.03 62.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 41.7 m-85 -68.59 -31.06 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -70.0 -35.29 74.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.317 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 57.1 m -68.7 -48.07 64.81 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.248 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.9 -34.82 38.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.0 mtt180 -76.9 -27.9 55.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.624 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 113' ' ' SER . 20.3 mt-10 -57.83 -22.44 47.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.601 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 117' ' ' ILE . 3.0 mp -96.44 -40.91 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.659 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.6 p -94.25 -64.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.446 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.579 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 65.7 t-105 -55.69 -25.96 42.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.588 ' HZ1' ' HB2' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -117.34 115.06 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 70.6 mt -133.25 107.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -85.32 162.01 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.3 p -99.05 168.51 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.73 0.3 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -102.47 118.91 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -156.28 -44.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -119.0 117.97 30.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -154.07 136.17 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -138.63 152.49 48.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -96.14 111.18 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -136.16 139.4 42.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.93 -147.73 8.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.87 139.12 50.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mt -135.65 171.56 14.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.977 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -120.44 127.48 52.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.438 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.9 mtp -124.32 148.23 47.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -60.02 128.35 36.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.44 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.39 100.98 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.383 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 p -73.3 -7.29 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.287 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.73 -56.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 110.399 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -107.58 1.55 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 53.38 70.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.564 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HZ3' ' HG3' ' A' ' 50' ' ' MET . 65.1 pttt -171.13 179.34 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.904 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -101.89 128.55 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.6 p -124.11 168.98 12.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -90.28 135.25 33.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -133.48 154.2 51.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 80.6 t80 -102.93 95.86 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.542 ' HB3' HD13 ' A' ' 40' ' ' LEU . 78.6 m -91.78 160.57 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.562 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.65 121.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.4 mt -88.65 124.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 111.361 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.58 121.4 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.962 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 65.1 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.191 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.17 10.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.358 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 67.8 mttm -119.1 165.56 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 33' ' ' CYS . 29.9 tp -128.57 117.63 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.405 ' HB3' HG12 ' A' ' 63' ' ' ILE . 38.9 p -106.52 122.01 45.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.316 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -105.13 131.31 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 48.3 t -88.72 159.27 17.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.405 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.98 165.58 23.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.587 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' CB ' ' H ' ' A' ' 49' ' ' THR . 4.1 m-20 -43.25 131.69 4.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.95 4.7 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.525 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -157.53 -36.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 50' ' ' MET . 84.9 mm-40 -67.4 -56.94 7.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.422 ' H ' ' CB ' ' A' ' 45' ' ' ASP . 42.7 p 50.65 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.024 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.507 ' HG3' ' HZ3' ' A' ' 27' ' ' LYS . 84.2 mmm 62.78 16.36 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.297 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -110.87 99.28 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 54' ' ' ASN . 2.2 mp0 -92.85 164.28 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.436 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 64.89 -7.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 39.1 m-80 -140.68 58.96 10.67 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.991 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.537 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 5.5 Cg_exo -79.86 109.63 2.44 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.901 2.401 . . . . 0.0 112.149 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.0 tp -171.54 154.06 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -147.71 140.23 8.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 m -126.41 18.13 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' HA ' ' HG ' ' A' ' 43' ' ' SER . 51.3 tp 59.87 -86.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.21 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.8 p -57.0 99.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.0 tpm_? -94.44 -26.38 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.502 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.44 155.99 20.06 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.006 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG12 ' HB3' ' A' ' 41' ' ' SER . 43.7 mt -137.76 140.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.565 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.1 mm? -102.23 111.09 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 5.3 m-20 -50.88 -27.73 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.4 mt 60.24 6.09 0.94 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.04 1.07 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.379 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -152.92 55.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -146.65 171.36 15.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.71 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 48.9 m-80 -137.03 131.09 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.351 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.06 131.39 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.445 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -132.33 128.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -80.37 104.71 11.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.64 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.42 120.5 80.61 Favored Pre-proline 0 C--O 1.237 0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.137 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.26 151.44 29.89 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.843 2.362 . . . . 0.0 112.757 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 55.97 15.41 1.73 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.22 -169.61 13.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.391 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -138.68 149.43 45.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.559 0.218 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 69.65 -77.81 0.05 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.016 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -145.36 16.39 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.4 178.24 4.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.7 m -123.13 -26.28 4.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.367 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -129.04 102.45 6.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -127.87 147.69 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 111.884 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.3 m-85 -131.51 123.71 28.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.44 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 62.7 mt -101.52 141.5 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 mt -101.21 129.39 47.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.304 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -114.98 103.89 54.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.713 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -59.83 153.13 58.89 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.479 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.502 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.7 tt0 -59.72 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.98 85.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.729 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.5 21.14 2.93 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.444 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -56.93 158.83 8.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.681 0.24 . . . . 0.0 110.706 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.09 149.79 41.9 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.57 2.18 . . . . 0.0 112.899 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.31 168.31 11.73 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.902 2.401 . . . . 0.0 112.307 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG13 ' HE3' ' A' ' 20' ' ' MET . 42.4 t -133.48 130.65 57.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.29 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -97.66 139.76 33.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.285 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.69 159.48 35.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.1 158.83 35.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 111.685 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.3 p -125.97 -167.95 1.78 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.78 -2.14 6.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 107' ' ' LEU . 95.6 mtt180 -140.44 165.73 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.19 -37.6 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.01 -53.6 36.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 110' ' ' TRP . 6.7 mm-40 -60.03 -31.33 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 110.04 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 103' ' ' ARG . 2.4 tm? -57.16 -56.71 18.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.1 t80 -72.46 -42.86 64.49 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.279 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.74 -58.21 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.3 m95 -60.6 -49.18 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -70.81 -30.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.4 tm0? -60.65 -37.48 81.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.3 p -69.24 -46.26 67.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.78 -34.56 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 12.9 mtt180 -76.49 -31.57 57.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.357 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.1 -18.77 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.648 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.432 HD12 HD11 ' A' ' 66' ' ' LEU . 72.5 mt -107.74 -30.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.434 ' HG1' ' H ' ' A' ' 119' ' ' TRP . 70.4 p -101.01 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.7 t-105 -60.47 -22.2 63.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -123.8 112.17 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.6 mt -130.3 105.03 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -153.39 123.95 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.7 t -137.76 -20.35 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.862 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.819 0.342 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -134.08 146.91 50.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.91 -143.19 7.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.423 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -119.82 153.41 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.55 175.74 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -125.22 138.31 54.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.03 0.443 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 78.7 mtp -133.42 137.31 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -57.2 125.51 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.38 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -117.17 99.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.481 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -71.7 -6.37 40.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -66.0 -42.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.272 0.558 . . . . 0.0 109.635 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.45 2.49 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.67 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 50.24 69.94 0.56 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.987 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -167.47 177.49 5.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.939 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -109.45 115.61 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -106.07 168.43 9.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -94.73 126.27 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -123.0 144.1 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 77.3 t80 -89.69 95.83 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.092 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB3' HD11 ' A' ' 40' ' ' LEU . 96.7 m -90.52 160.68 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.582 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.88 118.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.598 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -88.73 125.77 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.369 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 121.26 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 65.2 -81.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.33 13.67 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.469 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 99.2 mttt -122.9 160.3 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.342 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 33' ' ' CYS . 31.6 tp -123.4 117.61 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 p -108.5 125.98 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.401 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -113.59 134.55 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 45.0 t -93.34 164.32 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.365 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.77 166.03 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.45 132.0 2.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.189 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.96 1.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 6.7 tpm_? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.065 0.46 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.08 151.97 12.95 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.96 138.37 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.5 mm? -101.23 110.92 23.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.971 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.538 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.5 m-20 -52.35 -26.98 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 98.0 mt 60.56 7.45 1.37 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.276 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -102.87 -9.53 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.354 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -141.31 57.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -149.59 171.51 16.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -139.49 131.24 27.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.5 t -96.2 134.81 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 111.298 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.8 OUTLIER -139.16 120.63 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.79 104.34 3.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . -76.14 120.7 82.84 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.18 155.54 42.11 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.943 2.429 . . . . 0.0 112.282 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 56.88 13.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.75 -168.42 3.71 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.572 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.563 ' H ' ' HB2' ' A' ' 81' ' ' LYS . 36.7 mtpt -145.11 137.83 26.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 54.46 82.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.294 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 60.23 17.1 6.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.177 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.563 ' HB2' ' H ' ' A' ' 78' ' ' LYS . 71.8 mmtt -113.5 167.63 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.485 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.0 t -124.2 -25.75 4.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.617 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.89 105.54 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 100' ' ' ALA . 27.0 t -133.09 150.94 33.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 21.2 m-85 -129.6 135.05 48.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.215 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.545 HG12 ' HG3' ' A' ' 98' ' ' GLU . 70.8 mt -113.86 138.63 43.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.3 mt -100.04 130.47 46.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.28 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.7 mt-10 -117.63 107.09 45.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.687 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 14.9 Cg_endo -56.18 152.96 35.29 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.553 2.169 . . . . 0.0 112.414 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.3 mtpt -121.58 3.32 10.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.495 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 58.7 tp60 -61.81 -62.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.08 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.13 31.8 2.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.72 158.95 81.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.566 0.222 . . . . 0.0 110.615 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.27 153.31 14.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 112.895 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -83.82 168.14 12.56 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.891 2.394 . . . . 0.0 112.196 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.57 131.71 47.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.335 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.08 141.8 31.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 84' ' ' VAL . 41.8 m-85 -130.31 158.38 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.481 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 162.28 36.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.023 0.44 . . . . 0.0 111.77 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -135.74 -173.59 3.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.48 7.47 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -146.51 160.6 41.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.41 -33.82 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.152 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.01 -50.24 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.42 -32.36 70.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.017 0.437 . . . . 0.0 110.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.73 -56.33 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.5 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.98 -27.7 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.659 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.39 -58.08 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -68.63 -41.08 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.1 m-85 -75.02 -30.92 61.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.74 -33.0 71.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.326 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -68.72 -46.81 67.95 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.126 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.2 -34.49 45.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.452 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 87.3 mtt180 -76.37 -31.6 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 113' ' ' SER . 12.1 mm-40 -60.21 -19.75 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.469 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 66' ' ' LEU . 73.1 mt -108.54 -32.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.555 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' LEU . 66.1 p -98.5 -62.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.342 . . . . 0.0 111.297 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 35' ' ' ILE . 16.9 mm-40 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.628 0.251 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 80.0 mt-30 -125.15 133.08 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.85 -132.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.452 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -130.19 139.67 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.997 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.47 160.3 42.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -106.81 145.21 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 mtm -141.25 139.31 33.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -57.94 123.63 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -107.38 104.12 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 p -78.83 -1.68 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.363 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 24' ' ' ILE . 3.7 mp -75.46 -45.31 40.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 110.225 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.79 0.18 11.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.011 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 54.2 72.74 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.743 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -171.46 176.48 3.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.849 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -105.28 129.39 53.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.6 p -124.44 165.64 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -94.67 122.31 37.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -117.55 163.09 16.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -109.01 97.6 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.852 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.562 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.5 m -87.53 162.42 17.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.812 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.36 113.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.705 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.4 mt -88.92 113.15 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.222 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.38 122.78 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 63.68 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.33 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.36 7.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.403 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.7 mttt -119.38 158.82 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.193 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.0 tp -120.99 117.61 27.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -108.74 120.28 42.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.994 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -105.23 132.69 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.616 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.8 m -95.38 176.94 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 4.9 p-10 -66.98 165.21 16.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.42 151.19 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -101.97 -4.16 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 33.4 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.955 0.407 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.8 151.04 5.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.995 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 46.6 mt -138.89 141.17 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 111.448 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -103.01 110.58 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 p30 -51.25 -29.08 13.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 118' ' ' THR . 89.3 mt 62.19 4.22 1.18 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.637 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.28 -8.42 21.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.923 0.392 . . . . 0.0 110.305 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 78.4 p -143.34 61.61 1.39 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.92 171.34 17.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.586 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 20.7 m120 -138.29 131.13 29.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.3 t -96.14 132.34 40.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.904 0.383 . . . . 0.0 111.153 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -138.32 120.95 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -75.72 104.68 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.521 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.39 120.87 83.59 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.265 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.04 -70.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.934 2.423 . . . . 0.0 112.849 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -55.11 -21.42 12.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.19 -162.96 12.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.227 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HD3' HD11 ' A' ' 86' ' ' ILE . 20.1 mmmt -138.52 -28.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -141.5 -83.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -127.3 7.21 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.77 -173.92 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.981 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t -128.38 -54.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.948 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -92.37 92.43 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.65 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 67.9 t -117.91 155.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 111.894 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 27.8 m-85 -136.11 125.12 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.193 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 57.2 mt -106.5 138.12 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' HG22 ' A' ' 71' ' ' VAL . 43.3 mt -99.97 128.28 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.303 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.2 mt-10 -114.68 104.97 54.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.73 152.02 59.58 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.42 2.08 . . . . 0.0 112.553 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -115.98 1.4 13.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.355 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 49.2 tt0 -97.46 129.66 44.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 43.8 -92.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.797 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.84 33.35 0.44 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.771 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -50.57 160.85 0.7 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 110.95 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.1 156.65 11.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.747 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.68 168.1 14.44 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.789 2.326 . . . . 0.0 112.299 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.67 129.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.6 mp0 -96.52 141.34 29.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.924 0.392 . . . . 0.0 111.324 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.6 m-85 -130.69 156.97 44.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.465 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.08 147.83 18.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 111.822 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.6 p -118.08 -172.54 2.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.709 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.12 -9.32 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 61.5 mtt180 -139.39 161.59 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.46 -28.17 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.25 -52.99 18.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' HB2' ' A' ' 103' ' ' ARG . 7.4 mt-10 -60.45 -30.64 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.228 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.532 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -66.97 -56.76 8.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.51 -28.01 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.574 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -74.85 -58.37 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -69.11 -49.32 58.14 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.532 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.5 m-85 -67.13 -42.56 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.4 tp60 -60.93 -35.29 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.424 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -68.56 -45.92 70.83 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.022 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.86 -33.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 88.0 mtt180 -76.09 -36.04 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.588 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 35.1 mt-10 -59.64 -17.86 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.441 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.46 -21.75 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' LEU . 70.7 p -113.01 -57.25 2.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.766 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 4.5 m95 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.04 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' HB2' HD12 ' A' ' 35' ' ' ILE . 23.0 mm-40 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.949 0.404 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 51.4 tt0 -169.05 137.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.59 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 170.41 -135.74 3.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.49 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -128.63 132.74 48.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.77 172.06 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -121.96 136.89 54.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.5 mtm -133.39 141.01 47.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -57.29 131.17 49.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -115.02 100.44 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.368 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.5 p -72.33 -7.95 52.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.388 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.6 -55.61 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.491 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -108.25 -0.01 21.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.64 68.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.572 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -170.23 176.65 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.669 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -103.49 134.25 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -121.26 169.0 11.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -97.9 122.31 40.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -120.58 160.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 40.5 t80 -109.85 96.02 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.747 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 40' ' ' LEU . 85.0 m -89.01 162.91 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.861 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -169.81 116.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.587 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 14' ' ' GLN . 87.5 mt -88.77 136.84 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.318 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.14 134.54 2.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.29 41.32 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 60.56 22.54 12.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.434 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 27.7 mtmt -131.69 135.68 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 33' ' ' CYS . 28.5 tp -107.44 117.04 33.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -111.7 116.45 30.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.051 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -103.94 133.0 49.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 94.2 p -89.25 161.63 16.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.71 165.6 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -45.88 142.52 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -103.2 -28.06 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.678 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.35 -179.723 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.938 0.399 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.81 166.47 36.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 39' ' ' LYS . 62.6 mt -141.5 139.22 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.512 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.3 mm? -107.76 107.99 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.859 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.3 t70 -55.77 -22.15 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.392 . . . . 0.0 110.661 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.0 mt 61.25 9.87 2.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.387 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.08 -6.85 15.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.425 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.0 p -139.45 53.25 1.72 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.427 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -151.49 169.31 22.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.4 m-20 -137.83 131.74 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 87' ' ' LEU . 24.8 t -96.28 133.9 35.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.864 0.364 . . . . 0.0 111.096 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -136.74 120.87 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.26 104.67 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.417 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.27 120.79 82.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.321 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 83.9 Cg_endo -78.11 -52.77 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.791 2.327 . . . . 0.0 113.044 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 65.3 mt-30 -79.92 11.01 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.731 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 -140.2 29.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.298 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -149.89 -59.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -136.92 102.57 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 58.64 14.79 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.405 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -115.97 164.24 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.47 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -114.32 -51.46 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -98.36 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.6 t -132.65 152.6 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 111.748 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.9 m-85 -133.7 122.82 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 98' ' ' GLU . 64.2 mt -103.28 139.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 71' ' ' VAL . 28.4 mt -100.81 130.93 46.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.164 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.0 mt-10 -117.32 111.14 40.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.031 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 33.5 Cg_endo -61.19 132.5 41.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.553 2.169 . . . . 0.0 112.326 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -87.03 5.44 37.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.684 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.54 -7.3 55.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 94' ' ' ASP . 19.8 mt-30 63.24 152.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.621 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.81 -23.78 0.83 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.503 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -75.9 156.36 84.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.561 0.219 . . . . 0.0 110.657 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -84.64 152.35 11.67 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.849 2.366 . . . . 0.0 113.075 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.83 168.32 10.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.908 2.406 . . . . 0.0 112.217 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.4 t -132.47 120.89 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.555 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -91.31 143.62 26.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.335 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 84' ' ' VAL . 44.3 m-85 -130.29 157.99 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.639 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.17 154.37 27.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 111.78 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.4 p -127.65 -172.26 2.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.39 3.19 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -146.44 158.99 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.721 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.9 -30.13 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.799 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.08 -51.99 22.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.36 -27.8 66.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.497 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.8 tp -66.63 -56.71 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.024 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.84 -27.42 67.53 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.561 -179.176 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.61 -58.14 3.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.851 0.358 . . . . 0.0 111.819 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.406 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 19.1 m95 -68.31 -49.15 62.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.497 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.9 m-85 -67.34 -36.08 80.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -65.47 -33.81 76.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.664 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 m -68.6 -45.64 71.43 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.99 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.84 -35.56 51.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 74.9 mtt180 -76.36 -29.06 57.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.406 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.8 -18.94 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.517 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' ALA . 84.2 mt -108.3 -31.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 66' ' ' LEU . 72.3 p -99.68 -61.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 111.204 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 26.8 tt0 -147.46 140.94 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.55 -139.61 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -126.13 144.19 50.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -146.89 168.8 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -115.05 143.61 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.1 mtp -137.18 140.31 41.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.699 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -63.29 113.37 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.201 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.53 108.35 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.85 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -82.2 8.03 12.11 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.566 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.7 mt -105.83 -28.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.68 -1.22 12.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.56 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.6 mp0 43.41 61.66 2.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.666 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.67 -171.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.142 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -113.45 108.59 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.528 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.3 p -102.57 167.67 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -100.05 133.51 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -89.17 96.85 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.7 m -84.75 154.15 22.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.804 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -166.79 116.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.367 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -88.28 124.25 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.35 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.04 130.16 51.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.77 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.13 11.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.1 mttt -125.97 173.51 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.5 tp -121.98 117.79 27.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.484 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 p -101.5 109.39 21.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -101.26 142.66 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -88.01 173.54 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.4 p30 -76.88 165.28 24.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.636 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.67 126.81 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.556 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 pt -100.02 -27.85 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.675 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.7 tpt180 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.07 13.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.242 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.29 138.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.5 tp -109.6 100.46 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.384 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.4 m-20 -59.54 100.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -77.72 26.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.178 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 65' ' ' ASP . 16.5 m120 -112.87 -6.34 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.6 p -141.18 58.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -152.88 171.13 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.585 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.7 m-20 -137.33 128.28 27.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.912 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.7 t -95.95 128.79 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 111.314 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -130.55 135.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.71 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -86.32 110.97 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.24 120.11 69.76 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.182 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.564 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 86.2 Cg_endo -79.94 -64.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.872 2.381 . . . . 0.0 113.512 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.564 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 67.1 mt-30 -59.49 -12.61 6.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.09 163.5 6.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.088 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 24.4 ttmm -122.01 160.29 25.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.756 0.312 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 m120 65.99 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.214 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -148.49 12.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -98.4 177.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.329 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.2 p -116.09 -58.82 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.933 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.83 101.99 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.64 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 99' ' ' PHE . 96.6 t -131.94 147.76 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 112.003 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.472 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 10.2 m-85 -127.17 123.97 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.573 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.9 mt -99.35 142.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.181 0.515 . . . . 0.0 112.3 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 71' ' ' VAL . 78.9 mt -104.67 130.4 52.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.291 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.3 mt-10 -116.26 111.22 42.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.838 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 29.5 Cg_endo -60.1 131.2 37.82 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.582 2.188 . . . . 0.0 112.201 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -87.46 11.16 15.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.696 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.1 mm100 -63.88 -67.43 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -172.86 -67.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.21 23.67 2.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.141 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.597 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -63.19 163.86 16.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.577 0.227 . . . . 0.0 110.824 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 93.9 Cg_endo -76.35 148.44 30.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.888 2.392 . . . . 0.0 113.152 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.22 168.33 7.64 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.941 2.427 . . . . 0.0 112.175 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.77 126.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 78' ' ' LYS . 1.5 mp0 -95.01 144.67 25.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.41 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.4 m-85 -132.34 147.14 52.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.71 153.19 38.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 111.805 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.412 HG21 ' HA ' ' A' ' 107' ' ' LEU . 44.7 p -123.11 -171.66 2.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.866 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.35 -2.17 10.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -144.43 164.61 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 p -78.26 -31.64 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.23 -54.12 12.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.07 -25.48 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.154 0.502 . . . . 0.0 109.87 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HA ' HG21 ' A' ' 101' ' ' THR . 5.5 tp -66.94 -57.52 6.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.29 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.0 t80 -70.5 -33.53 71.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.532 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.86 -57.78 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.418 . . . . 0.0 111.434 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -66.99 -39.15 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.242 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 11.6 m-85 -75.15 -30.43 60.75 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 23.0 tm0? -68.0 -37.11 81.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.6 t -67.8 -45.07 75.84 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.85 -35.67 52.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 79.1 mtt180 -76.42 -28.65 56.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.438 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 113' ' ' SER . 23.8 mt-10 -60.41 -22.29 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.399 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.32 -32.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.717 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.8 p -96.2 -60.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 63.9 t-105 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.074 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -135.7 152.69 51.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.67 -125.32 1.35 Allowed Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.57 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -126.52 163.02 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 111.052 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.84 158.08 22.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -113.63 135.25 54.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.1 mtm -131.12 138.07 49.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -57.96 119.28 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.322 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -102.29 104.57 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 p -78.84 -1.56 35.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -75.71 -44.11 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.49 0.16 10.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 53.66 72.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.478 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.52 175.66 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.13 120.04 40.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -113.83 168.74 9.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -91.76 127.48 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -123.52 143.61 50.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -97.92 99.93 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.037 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.546 ' HB3' HD11 ' A' ' 40' ' ' LEU . 79.9 m -93.9 166.04 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.692 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.52 115.92 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.652 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.4 mt -88.68 139.67 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.397 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.76 122.03 12.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 64.15 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -150.67 24.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 87.4 mttt -134.35 142.11 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.771 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.7 tp -107.78 117.38 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.158 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -109.63 124.75 51.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -109.58 143.44 39.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.745 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -100.44 171.6 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.002 0.43 . . . . 0.0 111.375 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 20.5 t70 -69.14 165.87 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.742 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -43.08 139.04 1.92 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.556 HG13 ' HG2' ' A' ' 47' ' ' GLU . 42.5 pt -96.53 -5.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.617 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 46' ' ' ILE . 8.1 pt-20 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.317 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.7 mmm180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.16 160.5 34.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.9 mt -143.81 125.47 10.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 0.0 111.534 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.7 mm? -88.99 106.67 18.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.005 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.635 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.0 m-20 -54.07 -23.42 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.57 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 38' ' ' ALA . 80.3 mt 63.95 0.53 0.97 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.261 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.3 m120 -104.79 -3.45 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.19 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -140.75 41.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -149.42 171.17 17.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.022 0.439 . . . . 0.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 90.4 m-20 -142.16 119.15 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.268 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG11 HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -95.16 125.85 47.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.236 0.541 . . . . 0.0 111.266 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -123.87 153.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.105 -179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -95.82 105.02 16.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.49 121.16 70.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -81.0 168.77 16.93 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.967 2.445 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 55.49 21.09 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.32 -144.1 40.3 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.387 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 86' ' ' ILE . 16.3 tppt? -149.22 -45.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -121.13 -79.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -123.97 15.03 9.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -97.84 -176.57 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.348 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -125.47 -30.77 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.941 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 107' ' ' LEU . 27.6 m-85 -126.22 108.23 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.629 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 100' ' ' ALA . 53.1 t -131.87 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.2 m-85 -116.51 161.38 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 72' ' ' VAL . 67.3 mt -136.51 137.36 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 87' ' ' LEU . 31.2 mt -99.67 130.7 45.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 39.8 mt-10 -118.36 107.82 42.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.547 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.9 Cg_endo -55.69 153.53 29.66 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.469 2.113 . . . . 0.0 112.477 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -122.62 2.04 9.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.491 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.5 tp-100 -64.65 -73.36 0.12 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.24 -80.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 34.04 2.67 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.66 159.92 75.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.512 0.196 . . . . 0.0 110.639 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.03 153.99 11.16 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.767 2.311 . . . . 0.0 112.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.43 168.14 14.88 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.831 2.354 . . . . 0.0 112.167 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -137.36 125.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.77 0.319 . . . . 0.0 111.347 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.1 mp0 -94.67 141.28 28.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 84' ' ' VAL . 22.7 m-85 -129.49 156.82 43.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.24 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.39 165.16 33.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.067 0.46 . . . . 0.0 111.883 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 p -136.95 -171.37 2.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.84 5.22 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.38 153.76 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.695 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.99 -31.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.19 -50.16 36.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.59 -33.17 73.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.413 . . . . 0.0 110.061 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.4 tp -64.2 -56.23 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.307 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.44 -27.57 68.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.318 -179.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -72.86 -58.08 3.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -68.48 -48.09 65.36 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -67.78 -30.57 70.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.5 tm0? -69.41 -36.39 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -66.22 -50.08 65.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.347 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.408 HG22 HG11 ' A' ' 71' ' ' VAL . 62.6 mt -54.12 -35.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -77.01 -27.93 54.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.721 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 113' ' ' SER . 22.2 mt-10 -57.91 -23.82 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.533 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 117' ' ' ILE . 3.6 mp -93.84 -40.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.671 0.272 . . . . 0.0 111.645 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.5 p -94.18 -65.14 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.3 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 35' ' ' ILE . 18.4 mm-40 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.793 0.33 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -144.35 133.8 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.349 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.37 -125.73 1.1 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.714 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -137.5 148.12 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.049 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -148.54 170.44 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -116.05 138.5 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.0 mtp -131.8 139.24 48.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -58.32 120.93 9.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.539 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.8 105.58 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -81.67 8.68 9.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.374 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.35 -43.41 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.029 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.6 1.33 31.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.81 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.432 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.3 mp0 45.13 60.77 2.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.884 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -170.86 -178.37 2.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.748 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -104.54 142.11 35.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.4 p -134.13 165.0 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.877 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -93.31 124.06 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -121.72 145.68 47.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.437 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 78.4 t80 -91.57 99.23 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -93.53 160.16 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.674 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.26 114.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.386 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 14' ' ' GLN . 95.3 mt -88.38 108.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.343 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.36 124.85 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.23 -84.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -145.04 6.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.422 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 66.0 mttm -116.11 145.85 42.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.221 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 33' ' ' CYS . 15.4 tp -107.57 116.3 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -105.82 118.13 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 111.212 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -104.29 130.73 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 95.0 p -95.66 177.18 5.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.255 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.02 165.18 24.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -53.46 149.41 7.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.6 pt -110.65 2.3 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.334 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 4.2 mmp_? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.916 0.388 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.14 157.53 25.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.96 140.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 87' ' ' LEU . 8.9 tp -101.85 99.33 9.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.873 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.0 m-20 -51.52 -29.88 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 38' ' ' ALA . 96.6 mt 55.39 -170.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.474 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 63.93 -2.86 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 66' ' ' LEU . 12.8 t -138.78 15.12 2.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.259 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.39 170.99 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.773 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 92.0 m-20 -134.72 117.14 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.679 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.47 143.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.16 0.505 . . . . 0.0 111.044 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -139.04 120.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.865 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -68.67 104.6 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.14 121.09 75.47 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.685 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.4 151.46 22.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.005 2.47 . . . . 0.0 112.518 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 54.15 21.72 3.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.8 -153.7 19.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.354 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 39.2 ttpt -139.31 -44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -134.42 104.38 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 57.51 12.94 1.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.326 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -119.51 163.75 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.6 m -122.37 -27.22 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 107' ' ' LEU . 10.2 m-85 -121.64 99.29 6.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.1 t -131.16 146.35 33.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 111.813 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.4 m-85 -125.16 124.42 41.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.479 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 98' ' ' GLU . 74.0 mt -99.44 138.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 111.771 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 64' ' ' LEU . 99.0 mt -102.41 135.31 44.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.442 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.5 mt-10 -123.3 104.14 35.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.449 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.6 Cg_endo -59.28 156.23 36.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.501 2.134 . . . . 0.0 112.514 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 49.0 mtpt -125.69 1.9 7.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.429 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 53.1 mt-30 -55.71 -57.21 12.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.54 34.9 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.233 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -71.02 158.5 88.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.562 0.22 . . . . 0.0 110.696 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.49 155.33 16.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.241 . . . . 0.0 112.73 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.41 167.51 19.19 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.679 2.253 . . . . 0.0 112.219 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 t -138.87 121.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.296 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -92.1 145.57 24.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.4 m-85 -132.42 160.62 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.528 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.96 165.12 35.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.758 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -138.02 -179.34 5.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.51 -14.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -142.86 172.6 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 p -78.22 -28.53 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.57 -49.51 58.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.96 -24.5 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.101 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.9 tp -70.23 -56.99 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.012 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.21 -27.51 66.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.475 -179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.38 -57.85 3.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.915 0.388 . . . . 0.0 111.795 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -70.49 -45.46 65.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.528 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.4 m-85 -70.45 -30.96 67.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 23.0 tm0? -69.93 -37.83 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -68.2 -42.11 80.38 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.11 -33.21 46.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 78.1 mtt180 -76.18 -33.91 59.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.841 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.29 -18.61 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.13 -36.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.521 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.0 p -98.08 -61.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.8 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.104 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 9.2 tt0 -147.27 142.35 27.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.55 -130.01 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.367 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.61 162.13 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.36 155.58 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.59 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -108.9 133.7 52.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.0 111.27 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.9 mtp -127.23 149.66 49.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -64.45 125.34 24.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.506 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -101.97 105.45 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.065 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 t -81.3 8.58 8.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.567 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.3 mt -103.18 -50.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.983 0.42 . . . . 0.0 110.109 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.88 3.29 47.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.0 mp0 44.62 62.16 2.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.48 -174.11 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.911 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -103.34 136.84 42.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.2 p -127.05 166.29 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.873 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -89.88 128.47 36.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -126.94 132.72 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -86.85 95.81 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -86.84 159.24 19.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 112.083 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.15 115.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.065 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.9 mt -88.11 112.73 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.075 0.464 . . . . 0.0 111.598 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.62 124.06 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.697 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 62.99 -84.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -141.02 -5.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.838 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 91.8 mttt -107.46 159.82 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.189 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 33' ' ' CYS . 22.9 tp -108.19 117.65 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -104.84 108.97 20.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -101.1 137.86 38.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -95.13 166.99 11.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.477 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 3.9 p30 -64.35 165.26 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -47.95 133.29 14.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG13 ' HG2' ' A' ' 47' ' ' GLU . 34.5 pt -80.57 -23.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.407 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 46' ' ' ILE . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.074 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 31.0 tpt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.964 0.412 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.17 153.45 19.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.33 142.46 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -116.38 100.28 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.335 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 m-20 -56.51 98.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 86.6 mt -76.18 23.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.251 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 65' ' ' ASP . 75.6 m-20 -113.14 -3.36 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.609 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.6 p -143.0 56.11 1.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -151.01 171.21 17.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.593 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 23.6 m120 -136.13 129.36 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.159 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.502 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.8 t -96.14 130.17 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 0.0 111.143 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.51 132.01 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 1.4 tmmt? -80.97 108.67 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 121.17 67.0 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.538 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.81 166.09 19.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.782 2.321 . . . . 0.0 112.797 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 55.65 21.02 4.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.14 -143.72 36.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.298 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HE3' HD11 ' A' ' 86' ' ' ILE . 15.6 tppt? -146.93 -58.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -103.16 -66.87 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -139.58 12.6 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.297 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.21 -173.44 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.208 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 t -124.42 -31.53 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.415 ' HB2' HD13 ' A' ' 107' ' ' LEU . 17.8 m-85 -123.56 106.06 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.951 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 78' ' ' LYS . 56.1 t -129.81 144.1 39.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 111.849 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -125.91 127.49 46.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.531 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG12 ' HG3' ' A' ' 98' ' ' GLU . 77.4 mt -100.0 144.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.165 0.507 . . . . 0.0 112.061 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 71' ' ' VAL . 79.0 mt -107.63 129.96 54.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.335 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.0 mt-10 -114.78 108.85 48.31 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.8 Cg_endo -58.67 153.4 49.61 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.617 2.211 . . . . 0.0 112.777 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -123.55 2.34 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.523 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 31.7 mt-30 -58.82 -56.09 26.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -170.54 -76.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.23 36.59 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -73.16 160.06 83.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.535 0.207 . . . . 0.0 110.782 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.48 154.88 14.02 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.718 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.65 167.83 16.55 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.78 2.32 . . . . 0.0 112.265 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.2 t -137.48 133.15 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.554 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.26 140.55 33.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -128.57 158.69 37.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.326 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.13 156.2 28.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.918 0.39 . . . . 0.0 111.97 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.2 p -124.0 -168.05 1.73 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.728 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -123.14 -3.62 8.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -143.18 171.83 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -45.13 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.224 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.38 -46.21 81.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.39 -35.68 76.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.503 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.6 tp -63.39 -56.01 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.976 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 12.3 m-85 -63.88 -27.05 68.89 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.579 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -75.19 -57.88 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -67.96 -40.25 83.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 15.8 m-85 -75.3 -30.39 60.35 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 12.0 tt0 -66.92 -40.48 87.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 86.6 p -65.84 -48.32 72.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.74 -35.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 75.9 mtt180 -76.59 -30.53 57.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.477 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 28.6 mt-10 -60.83 -20.55 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.415 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.1 mt -108.64 -31.47 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -98.88 -62.06 1.29 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 111.444 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.0 t-105 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.249 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.543 ' HB2' HD12 ' A' ' 35' ' ' ILE . 21.0 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -127.69 132.43 49.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 -130.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.38 147.59 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 6.7 mt -146.66 168.89 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.54 115.08 16.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.746 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.1 mtp -111.06 145.16 39.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 45.1 t-105 -64.84 109.62 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.656 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.24 100.76 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t -73.34 0.54 11.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.922 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.8 mm -88.25 -61.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.66 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.09 -5.56 47.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.606 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 7.9 mp0 57.83 72.75 0.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.556 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -170.04 171.17 7.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -94.6 112.31 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -99.9 139.92 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -89.68 121.67 32.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.547 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -135.48 139.88 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.383 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -76.29 100.24 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.232 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' HD11 ' A' ' 40' ' ' LEU . 52.3 m -84.46 159.8 20.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.9 116.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 14' ' ' GLN . 90.7 mt -88.28 115.37 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.265 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.32 117.46 34.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.621 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.41 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 117' ' ' ILE . . . -138.89 -23.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.624 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 56.4 mttp -90.01 167.29 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.493 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 33' ' ' CYS . 46.1 tp -116.77 146.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.227 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.414 ' H ' HD12 ' A' ' 40' ' ' LEU . 62.5 p -130.94 115.11 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -101.61 133.31 46.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.725 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -92.05 163.58 13.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -61.71 165.03 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.612 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.27 130.91 27.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 pt -93.86 8.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.939 0.4 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.27 165.86 34.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 73.7 mt -132.97 141.46 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -117.26 93.38 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.195 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.505 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 1.4 p-10 -57.75 104.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -82.62 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -109.67 16.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.9 t -165.26 24.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HD22 ' A' ' 87' ' ' LEU . 9.8 m-85 -114.92 171.46 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.941 0.4 . . . . 0.0 110.787 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.6 m-20 -130.96 126.64 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.174 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HB ' ' HG2' ' A' ' 115' ' ' ARG . 25.1 t -95.93 137.12 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -139.23 123.59 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.882 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -75.58 104.87 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.724 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -79.45 120.81 81.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_endo -81.68 -64.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.101 2.534 . . . . 0.0 113.026 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -52.23 -21.49 3.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.362 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.77 -152.31 17.79 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 14.3 tppt? -151.11 -70.9 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 0.0 111.322 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -121.07 90.21 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.53 13.28 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -104.57 163.74 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.167 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.5 p -108.44 -41.92 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -110.28 109.7 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 78' ' ' LYS . 45.8 t -133.35 148.94 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.588 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 15.4 m-85 -130.35 121.72 26.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.0 mt -99.93 141.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.127 0.489 . . . . 0.0 112.285 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 69' ' ' TYR . 13.2 mt -104.41 133.49 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.0 mt-10 -121.22 109.88 34.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.8 Cg_endo -60.36 157.67 34.78 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.424 2.082 . . . . 0.0 112.495 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 48.9 mtpt -126.31 -1.16 6.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 50.2 mt-30 -56.63 -59.06 5.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -168.62 -75.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.25 35.27 2.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.282 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.465 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -69.98 160.25 81.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.483 0.182 . . . . 0.0 110.715 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.5 153.95 15.85 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.751 2.301 . . . . 0.0 112.863 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.28 168.12 15.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.73 123.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.245 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 1.2 mp0 -93.64 144.99 24.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.41 159.73 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.29 142.42 15.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.866 0.365 . . . . 0.0 111.76 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -115.23 -169.57 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -114.2 -25.52 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -128.04 169.16 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.3 -32.39 16.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.73 -53.14 36.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.587 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.12 -27.98 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.174 0.511 . . . . 0.0 110.054 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.506 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -67.71 -56.49 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.43 -27.73 68.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.612 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.82 -58.18 3.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.895 0.378 . . . . 0.0 111.836 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -67.76 -49.07 64.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -67.52 -34.45 77.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.4 tm0? -67.0 -33.14 74.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -70.18 -46.33 64.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.918 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.86 -33.72 42.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HG2' ' HB ' ' A' ' 71' ' ' VAL . 86.4 mtt180 -76.03 -35.65 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.883 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.26 -18.11 24.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.005 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 38' ' ' ALA . 73.5 mt -101.07 -21.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.959 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.2 p -110.23 -58.17 2.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.409 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 6.6 m95 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.745 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 3.8 pt20 -145.1 148.14 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.61 -122.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.587 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.18 147.41 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.386 . . . . 0.0 111.133 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -151.25 165.49 33.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -116.37 123.85 48.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.32 146.99 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -60.05 129.42 41.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.303 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -112.06 100.44 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.49 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 p -72.03 -8.81 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -59.86 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -104.47 0.49 28.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.282 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.24 69.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -171.4 178.72 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.696 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -100.16 141.55 32.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 111.08 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -132.43 166.98 20.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -97.05 120.96 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.215 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -121.1 159.18 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.259 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -107.44 99.72 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.647 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 40' ' ' LEU . 74.2 m -90.85 167.04 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.277 0.56 . . . . 0.0 111.889 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -168.09 118.06 0.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.32 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.37 122.72 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.08 121.1 39.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 64.34 -81.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.253 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -149.8 25.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.443 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.3 mttt -133.76 149.2 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.112 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 33' ' ' CYS . 42.8 tp -107.63 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.403 ' HB3' HG12 ' A' ' 63' ' ' ILE . 22.3 p -108.31 129.02 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 111.223 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -113.39 133.69 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.568 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -96.12 177.11 5.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.959 0.409 . . . . 0.0 111.361 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.543 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.0 p-10 -73.11 165.46 24.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.78 139.62 9.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.823 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -92.54 -25.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 32.0 mmt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.76 160.47 9.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 41' ' ' SER . 80.3 mt -142.64 125.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.8 mm? -93.72 95.34 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.139 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -63.39 98.14 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 64' ' ' LEU . 3.7 mm? -50.61 -39.54 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.871 0.367 . . . . 0.0 111.246 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -59.19 -1.14 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.199 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' ' 66' ' ' LEU . 17.0 p -145.27 35.55 1.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -147.46 171.09 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 111.078 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 22.8 m120 -132.17 168.99 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.842 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.38 137.19 57.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.17 121.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.872 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 6.0 tmmm? -75.46 104.85 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.707 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -72.63 120.94 83.44 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.959 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' H ' ' A' ' 76' ' ' GLN . 71.4 Cg_exo -48.02 -94.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.215 2.61 . . . . 0.0 113.798 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 75' ' ' PRO . 61.5 tt0 -93.29 64.96 3.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 111.176 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 47.92 -154.85 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.816 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 38.3 ttpt -146.44 -64.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.01 -76.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -139.69 9.65 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.427 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -94.04 176.45 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.265 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.2 p -123.65 -21.05 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.299 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.59 103.3 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.411 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 53.7 t -128.71 155.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.5 m-85 -135.97 120.0 17.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.142 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 63.2 mt -99.85 139.72 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.141 0.496 . . . . 0.0 112.321 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 41.2 mt -98.22 134.45 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.055 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.2 mt-10 -119.47 109.89 37.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.008 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.11 158.68 20.88 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.73 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -125.68 -0.2 7.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.475 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.54 -62.17 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -161.03 -89.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.34 21.91 6.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.063 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.34 158.54 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.27 154.1 14.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.713 2.276 . . . . 0.0 112.871 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.05 168.13 13.77 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.803 2.336 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 64' ' ' LEU . 39.5 t -133.22 130.76 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.025 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -98.96 141.39 31.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.958 0.408 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' O ' HG13 ' A' ' 84' ' ' VAL . 33.9 m-85 -129.34 159.92 34.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.374 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.2 161.28 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 0.0 111.82 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -133.53 -174.04 3.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.728 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -119.01 0.02 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -144.97 161.65 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -78.43 -31.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.25 -51.78 28.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.663 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.92 -29.4 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.501 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.1 tp -63.55 -56.66 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -64.29 -40.47 96.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.552 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.8 -58.53 7.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.47 -49.39 60.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.501 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.7 m-85 -68.15 -30.53 69.67 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.31 -33.82 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.8 t -68.99 -44.4 72.92 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.155 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 66' ' ' LEU . 59.2 mt -59.72 -36.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 71.7 mtt180 -76.66 -28.31 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.371 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 113' ' ' SER . 17.6 mt-10 -56.63 -18.29 11.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.932 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -108.95 -24.24 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.986 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.4 p -123.65 26.66 7.66 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.507 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 66.6 t-105 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.589 0.233 . . . . 0.0 111.247 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -138.06 147.23 43.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.25 -130.5 1.98 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -124.36 153.29 42.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 mt -150.41 174.42 12.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -131.02 139.51 49.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mtp -132.15 151.73 51.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.609 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.0 t-105 -73.05 106.92 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.501 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -79.48 100.89 7.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -73.72 2.23 8.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.961 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.1 -61.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.529 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -94.68 -5.08 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.157 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.609 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 mp0 57.74 73.42 0.47 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.588 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -168.26 -175.5 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.727 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -111.7 110.59 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 146.54 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.15 121.52 31.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -126.82 139.72 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -77.44 106.62 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.33 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 34.7 m -91.98 157.56 16.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 111.682 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.41 114.64 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.328 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.65 116.98 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.6 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.99 120.28 40.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.723 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.65 -81.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -145.84 5.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.547 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -117.17 162.03 18.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.308 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 19.5 tp -125.79 117.28 23.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 p -104.3 117.86 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -100.31 126.02 46.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -87.69 174.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.027 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -62.21 163.36 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.98 132.65 54.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 pt -87.07 6.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 169.93 161.75 20.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -135.2 142.75 39.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.218 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 87' ' ' LEU . 8.0 tp -106.91 104.4 14.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.2 m-20 -49.91 -32.72 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 117' ' ' ILE . 86.0 mt 55.72 14.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -107.04 -12.48 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.1 p -139.26 67.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.26 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -153.89 171.12 19.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.8 m-20 -136.95 129.35 29.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.9 t -95.88 125.89 48.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 111.184 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -132.19 123.72 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.017 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -72.44 104.83 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.4 120.91 73.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.0 Cg_exo -80.05 154.14 22.33 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.016 2.478 . . . . 0.0 112.652 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 54.36 19.99 2.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.63 -146.09 44.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.291 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -154.66 -36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.767 0.318 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -135.69 94.79 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 56.79 17.98 3.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -120.35 168.11 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.6 p -122.07 -38.68 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.331 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -110.62 98.89 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.048 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 99' ' ' PHE . 47.1 t -130.01 145.39 35.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.908 0.385 . . . . 0.0 111.848 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.7 m-85 -126.17 125.4 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.552 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' ' 98' ' ' GLU . 78.5 mt -99.76 140.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.267 0.556 . . . . 0.0 112.232 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD21 ' A' ' 64' ' ' LEU . 85.8 mt -104.42 128.76 52.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.321 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.1 mt-10 -114.47 112.4 46.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.727 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 28.9 Cg_endo -59.22 128.97 29.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.506 2.137 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -81.45 9.37 7.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.67 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.8 mm100 -65.86 -74.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.711 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -164.85 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -121.2 17.46 9.09 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.813 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -54.01 162.21 1.55 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.025 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 72.7 Cg_endo -73.78 147.52 39.78 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.992 2.461 . . . . 0.0 113.116 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -87.39 168.25 7.46 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.998 2.466 . . . . 0.0 112.082 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.24 124.34 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.97 145.85 24.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.29 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 84' ' ' VAL . 31.9 m-85 -132.97 156.68 46.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.234 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.45 166.78 32.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 111.776 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.3 p -140.38 -174.31 3.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.846 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.47 6.66 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -146.23 161.44 40.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -41.26 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.54 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.52 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.8 tp -63.63 -56.47 15.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.54 -39.65 91.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.409 -179.091 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.81 -57.92 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.987 0.422 . . . . 0.0 111.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -68.46 -49.1 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 12.3 m-85 -67.62 -30.75 70.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.41 -36.28 76.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.997 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.21 -34.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 13.5 mtt180 -76.39 -30.98 57.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.942 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 113' ' ' SER . 25.3 mt-10 -57.55 -18.75 21.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.033 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 66' ' ' LEU . 61.5 mt -109.05 -29.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.7 p -115.19 20.13 15.15 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.5 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 76.5 t-105 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.184 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 29.3 tt0 -135.02 142.49 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.03 -136.58 3.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -120.1 160.81 22.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -162.92 176.01 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.709 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -128.08 145.57 50.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE3' ' HB2' ' A' ' 20' ' ' MET . 48.3 mtm -137.02 134.17 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -60.06 120.32 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.347 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -108.45 105.82 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.389 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 p -78.75 -0.67 31.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.05 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -34.79 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.551 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 9.4 m-20 -127.9 0.09 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.904 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 51.11 70.0 0.58 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.176 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HZ3' ' HB3' ' A' ' 25' ' ' ASP . 3.8 ptpp? -164.31 176.4 9.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.259 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -112.85 111.05 21.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.672 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 p -102.08 158.69 15.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.8 121.9 40.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -119.3 160.16 22.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 60.2 t80 -98.37 95.46 7.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 40' ' ' LEU . 94.4 m -84.79 158.9 20.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 0.0 111.884 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.64 121.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.313 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -88.29 117.2 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 111.282 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.822 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.85 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 117' ' ' ILE . . . -137.5 -18.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.738 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 54.9 mttp -95.25 173.87 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.1 tp -126.77 117.65 23.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -100.28 120.7 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -99.88 135.01 41.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 42.8 t -96.62 176.72 5.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.383 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -76.92 165.81 24.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.75 145.64 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.84 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -112.01 8.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.292 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 23.9 mmm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.4 166.84 18.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.56 137.45 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 ' HG ' ' A' ' 87' ' ' LEU . 18.7 tp -105.41 100.7 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.343 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -64.98 80.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 117' ' ' ILE . 72.1 mt -50.48 -20.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.548 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -66.33 -39.13 89.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 p -105.32 43.79 1.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 19.2 m-85 -146.35 168.08 21.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.548 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 84.7 m-20 -132.81 136.29 46.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.391 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.51 131.86 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 111.792 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.37 120.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HZ3' ' HZ ' ' A' ' 85' ' ' PHE . 20.2 ttmm -75.81 104.84 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 120.39 79.15 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.384 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 77' ' ' GLY . 56.6 Cg_endo -84.89 -42.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.932 2.421 . . . . 0.0 113.225 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.59 25.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.894 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 56.65 -151.58 24.25 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.663 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 15.0 tppt? -151.37 -48.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -152.49 99.14 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.676 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 59.39 12.27 2.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.0 167.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -118.32 -34.67 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.231 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -115.96 106.41 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 100' ' ' ALA . 41.9 t -136.45 146.71 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 111.717 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -123.08 155.81 36.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.506 ' HB ' HG23 ' A' ' 72' ' ' VAL . 52.8 mt -134.5 133.48 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.671 ' HG ' HD21 ' A' ' 64' ' ' LEU . 3.9 mm? -93.66 127.63 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.526 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.3 mt-10 -111.29 110.38 56.04 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.521 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.29 126.05 16.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.442 2.095 . . . . 0.0 112.541 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -84.3 12.47 6.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.0 mm100 -61.34 -71.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.85 27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.116 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.92 12.51 23.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.016 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.591 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -51.13 163.68 0.51 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 29.5 Cg_endo -60.68 142.25 97.3 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.012 2.475 . . . . 0.0 112.951 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.74 168.39 7.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.093 2.529 . . . . 0.0 112.333 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.91 133.64 65.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.663 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 2.0 mp0 -101.25 142.99 31.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.12 0.486 . . . . 0.0 111.738 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -132.29 156.7 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.151 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.18 154.59 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 0.0 111.663 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.0 p -119.77 -169.92 1.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -114.28 -21.08 10.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -130.63 169.31 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.26 -30.47 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.06 -54.04 14.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.16 -25.09 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.498 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.6 tp -68.54 -56.5 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.81 -27.6 67.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.526 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -70.77 -57.8 4.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.937 0.398 . . . . 0.0 111.643 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -69.84 -47.9 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 32.0 m-85 -67.39 -31.0 70.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.8 tm0? -69.88 -35.65 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 35.7 t -66.32 -48.3 70.76 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.927 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.611 HG23 HD22 ' A' ' 66' ' ' LEU . 48.8 mt -54.56 -34.23 28.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 83.6 mtt180 -76.65 -29.38 56.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.47 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 113' ' ' SER . 27.4 mt-10 -59.28 -20.17 52.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.509 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.8 mp -91.71 -44.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -100.64 -60.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.596 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 76.0 t-105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.354 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -134.22 139.35 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.714 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.65 0.75 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -139.48 148.35 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.406 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 mt -149.02 178.83 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.674 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.98 143.32 50.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.026 0.441 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mtp -130.1 154.31 47.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.791 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -78.66 132.12 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -117.99 101.59 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.355 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 p -73.79 -5.89 43.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.0 -51.45 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.21 -0.33 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.215 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 55.09 69.76 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.66 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -167.74 176.06 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.735 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -105.46 131.05 53.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 59.5 p -113.49 144.06 43.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -88.44 121.68 31.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.754 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.7 134.77 47.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -74.04 104.27 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.322 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' HB3' HD11 ' A' ' 40' ' ' LEU . 60.0 m -84.82 157.43 20.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.142 0.496 . . . . 0.0 111.62 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.36 114.58 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.285 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.5 107.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.514 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.19 120.14 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.713 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 63.71 -84.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.79 -10.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 94.9 mttt -106.26 146.54 30.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.96 0.41 . . . . 0.0 111.579 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.6 tp -107.64 116.83 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.186 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 m -109.25 116.55 32.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 111.317 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -98.92 138.65 35.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -89.33 173.48 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.14 165.8 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 3.8 m-20 -46.1 141.9 3.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 pt -108.74 3.76 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.842 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.874 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.96 163.93 37.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -133.68 143.76 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 87' ' ' LEU . 7.8 tp -112.91 105.6 13.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.074 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.4 p30 -47.1 -39.62 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.7 mt 61.54 5.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -101.59 -12.2 18.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.922 0.392 . . . . 0.0 110.47 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 89' ' ' PRO . 80.4 p -138.92 69.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -155.8 170.38 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.048 0.451 . . . . 0.0 110.965 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 20.4 m120 -137.25 129.83 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.84 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -95.89 126.11 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -133.4 120.93 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.888 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.82 104.79 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.44 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.45 121.07 73.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 4.2 Cg_exo -80.68 157.2 21.5 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.986 2.457 . . . . 0.0 112.465 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 55.33 18.03 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.38 -148.33 44.16 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.247 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -153.62 -34.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.726 0.298 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -141.17 97.02 3.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.957 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 56.54 18.98 3.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 67.6 mmtt -123.09 167.84 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -121.02 -38.57 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -111.45 100.99 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.044 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 99' ' ' PHE . 57.3 t -131.57 144.47 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.799 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.515 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.1 m-85 -123.76 127.79 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.596 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.581 HG12 ' HG3' ' A' ' 98' ' ' GLU . 80.2 mt -100.84 138.81 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.206 0.527 . . . . 0.0 112.141 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 64' ' ' LEU . 77.9 mt -104.52 126.56 51.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.401 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.4 mt-10 -112.21 105.83 56.19 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.55 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 26.4 Cg_endo -60.38 140.18 90.38 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.593 2.195 . . . . 0.0 112.745 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -103.59 8.96 37.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.32 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 92' ' ' GLN . 53.2 tt0 -65.36 -57.4 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 10.6 pt20 -177.18 67.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.276 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.38 9.83 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.81 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 2.0 m-20 -45.73 161.16 0.26 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.448 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 30.0 Cg_endo -61.06 146.56 97.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.001 2.468 . . . . 0.0 112.772 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -85.75 168.16 9.68 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.793 2.328 . . . . 0.0 112.282 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 t -134.4 124.91 46.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.581 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -93.21 147.82 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.3 m-85 -134.49 155.31 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -150.27 166.44 29.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 111.849 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 p -139.57 -169.76 2.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.748 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.32 0.7 6.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -144.21 166.25 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.36 -40.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.277 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.92 -47.14 72.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.08 -33.26 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.092 0.473 . . . . 0.0 110.003 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.76 -56.19 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.367 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 3.4 m-85 -63.96 -27.77 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.822 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -76.96 -58.07 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -68.05 -40.4 82.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.9 m-85 -75.23 -32.32 61.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.15 -29.11 65.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.106 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.1 m -74.0 -51.19 16.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.307 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.9 -40.12 34.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 45.6 ttt180 -68.97 -40.95 78.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.759 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 -17.8 14.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 mt -106.01 -21.36 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.877 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -111.27 7.27 21.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.007 0.432 . . . . 0.0 111.189 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 5.7 m95 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.756 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.651 ' HB2' HD12 ' A' ' 35' ' ' ILE . 14.9 mm-40 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.824 0.345 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 40.7 mt-30 -125.55 131.81 52.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.9 -133.37 2.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.06 135.91 46.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.81 165.1 27.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -112.49 137.82 50.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.5 mtp -131.38 146.73 52.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.704 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -65.93 125.93 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.501 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.59 94.44 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.3 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 t -70.65 -6.77 39.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.213 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.0 -41.29 92.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.426 0.632 . . . . 0.0 109.537 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.94 -0.01 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.085 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 52.57 74.03 0.31 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.815 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -169.71 175.92 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.882 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -102.8 125.81 49.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.67 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.3 p -119.46 164.59 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -95.61 130.72 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.71 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -129.29 151.4 49.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 78.8 t80 -95.68 95.88 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.807 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.9 m -87.14 161.2 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.246 0.546 . . . . 0.0 111.654 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.86 117.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.305 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 14' ' ' GLN . 73.6 mt -88.41 109.65 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 111.386 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.02 127.04 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.65 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -139.39 -5.14 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.641 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.3 mttm -107.61 152.8 23.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.8 tp -107.57 116.33 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 117.53 34.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.796 0.332 . . . . 0.0 111.25 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.89 135.68 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 44.2 t -95.67 162.53 13.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.295 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.578 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -65.85 165.49 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.781 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -48.67 152.71 0.92 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -115.3 -23.3 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.483 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.153 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.4 tpt180 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.0 0.428 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.91 153.3 22.44 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.179 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.6 143.63 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 111.372 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -115.71 93.0 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.175 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -55.16 98.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.507 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 64' ' ' LEU . 79.7 mt -74.14 22.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.495 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 79.0 m-20 -107.24 -13.16 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.3 p -138.97 63.03 1.52 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.594 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.9 171.51 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.1 m-20 -137.51 131.24 31.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.9 t -96.35 129.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.399 . . . . 0.0 111.404 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -134.74 120.78 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.865 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -74.99 105.05 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.17 121.21 76.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.572 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.4 158.5 29.3 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.787 2.325 . . . . 0.0 112.778 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 58.73 11.03 1.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.05 -172.94 4.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.536 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 40.6 ttmt -136.71 151.94 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.558 0.218 . . . . 0.0 110.548 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 67.98 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -143.37 17.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -104.99 174.99 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.4 p -120.46 -26.21 5.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.155 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -127.12 101.91 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.572 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.6 t -130.04 147.49 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.1 m-85 -123.81 151.28 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.989 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 69.6 mt -128.27 134.93 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.236 0.541 . . . . 0.0 112.335 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 64' ' ' LEU . 31.4 mt -97.82 126.79 43.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.492 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.1 mt-10 -113.59 110.56 49.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.514 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -56.08 149.36 53.7 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.58 2.187 . . . . 0.0 112.764 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -116.46 3.49 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.397 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 34.7 mt-30 -66.61 -64.05 0.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -159.9 -91.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.69 21.98 7.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.073 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.55 159.17 2.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.553 0.216 . . . . 0.0 110.801 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.02 153.31 16.79 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.692 2.261 . . . . 0.0 112.962 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.92 168.18 12.38 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.895 2.396 . . . . 0.0 112.242 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.08 127.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -96.28 143.65 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -130.86 162.76 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.04 155.25 27.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 111.8 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -130.35 179.3 6.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.797 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -115.57 5.58 14.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.86 155.98 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 p -77.95 -30.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.07 -51.62 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.46 -27.32 65.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.046 0.45 . . . . 0.0 109.999 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.513 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.4 -56.85 9.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.568 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.503 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.92 -27.46 66.65 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.155 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.63 -58.15 3.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.813 0.339 . . . . 0.0 111.903 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.513 ' HE2' HD12 ' A' ' 107' ' ' LEU . 36.8 m-85 -66.22 -45.88 79.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 7.5 tp60 -58.75 -38.15 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.859 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 t -66.82 -48.71 68.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.84 -34.98 20.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.532 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 41.9 ttt180 -75.73 -37.69 59.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.809 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 37.2 mt-10 -60.51 -18.14 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.205 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -21.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.194 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -102.85 -57.15 2.1 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.532 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 3.2 m95 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.709 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.658 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.5 mm100 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.886 0.374 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.05 135.51 47.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.533 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.13 -135.32 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.725 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -128.0 136.18 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.016 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 mt -135.43 161.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -104.42 139.33 39.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.6 mtp -136.44 138.26 41.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.21 126.8 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.18 103.62 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.294 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.3 p -77.34 -2.65 36.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.438 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.61 -46.68 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.438 . . . . 0.0 110.337 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.5 -0.19 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.052 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 54.8 72.46 0.47 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -171.46 176.96 3.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.848 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -105.52 131.88 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -125.26 168.21 13.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -95.63 124.01 39.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.697 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -120.36 144.89 47.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.74 96.27 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' HD11 ' A' ' 40' ' ' LEU . 10.2 p -106.85 167.1 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 0.0 111.832 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.39 131.44 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.1 mt -88.66 109.42 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 111.403 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 119.6 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.69 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.18 -83.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -138.93 -14.73 1.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.805 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.6 mttp -97.17 148.75 22.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.042 0.448 . . . . 0.0 111.834 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 33' ' ' CYS . 38.0 tp -109.98 117.16 33.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.758 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -110.27 122.18 47.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.0 p90 -108.05 143.8 36.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -97.8 175.8 6.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.41 165.38 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -51.19 147.61 5.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 pt -113.33 1.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.51 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.021 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 4.6 mmp_? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.0 157.69 17.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -141.16 125.47 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.639 0.257 . . . . 0.0 111.373 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -87.67 109.08 19.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.2 m-20 -49.3 -26.79 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 38' ' ' ALA . 76.6 mt 56.14 14.2 1.42 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -110.29 -12.89 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.1 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.3 p -142.23 64.95 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -151.08 171.33 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.625 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 24.9 m120 -135.65 129.25 32.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.101 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.6 t -96.35 133.11 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.218 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -138.46 120.61 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.05 104.66 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.793 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -70.87 120.53 79.79 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 11.2 Cg_exo -71.2 -66.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.936 2.424 . . . . 0.0 112.924 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.63 30.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.889 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.49 -146.07 26.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.138 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' ' 86' ' ' ILE . 15.4 mtpp -155.87 -44.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.677 0.275 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -140.2 98.5 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.323 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 53.86 18.74 1.69 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.422 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 70.4 mmtt -120.98 160.69 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.223 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -112.3 -48.22 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.208 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -101.32 100.73 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.956 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.8 t -126.09 154.88 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.478 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 28.3 m-85 -136.17 129.68 32.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.241 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.587 HD11 ' HD2' ' A' ' 78' ' ' LYS . 43.6 mt -110.79 136.21 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 71' ' ' VAL . 47.2 mt -99.44 125.97 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.572 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.3 mt-10 -112.18 106.5 56.09 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.48 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.6 Cg_endo -57.09 154.54 33.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.929 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -126.82 1.4 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.547 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.452 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 10.0 tt0 -62.11 -56.88 14.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -166.37 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -134.97 29.04 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.202 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -61.91 159.68 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.58 0.229 . . . . 0.0 110.654 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 81.5 Cg_endo -86.85 143.66 7.1 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.809 2.339 . . . . 0.0 112.956 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.8 Cg_exo -70.66 167.37 25.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.818 2.345 . . . . 0.0 111.829 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.7 t -139.74 126.01 22.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.773 0.32 . . . . 0.0 111.353 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.67 143.26 26.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -130.24 161.36 31.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.635 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -159.08 163.34 36.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 111.574 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.7 p -140.93 -170.44 3.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.9 3.62 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 103' ' ' ARG . 2.7 mmp_? -145.87 151.03 37.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.008 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.92 -28.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -70.75 -53.01 17.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.15 -29.66 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.45 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -67.61 -56.74 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.766 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -66.48 -27.64 67.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.537 -179.246 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.56 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -68.54 -49.54 58.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.531 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.4 m-85 -67.04 -41.55 86.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 21.6 tp60 -61.52 -35.71 78.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 64.8 m -68.1 -43.51 78.31 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.894 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.09 -33.96 47.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -76.44 -33.38 58.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.98 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 29.7 mt-10 -57.79 -19.26 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.218 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.454 HD12 HD13 ' A' ' 66' ' ' LEU . 61.4 mt -108.83 -30.91 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.548 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.8 p -107.34 23.73 13.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.783 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 49.9 t-105 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.652 0.263 . . . . 0.0 111.191 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -139.91 142.21 36.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.37 -129.3 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.636 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.85 160.03 39.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -161.12 159.06 28.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -109.48 135.36 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -132.24 139.89 48.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.708 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 44.2 t-105 -55.09 108.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.701 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.09 99.34 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -73.11 0.18 12.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.969 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.16 -62.02 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -93.98 -5.57 47.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.602 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.4 mp0 57.76 72.87 0.49 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.446 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -171.27 169.6 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -96.99 133.1 42.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -135.99 163.29 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -95.2 129.35 42.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.61 156.8 41.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -97.96 100.1 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.2 m -93.02 163.18 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.081 0.467 . . . . 0.0 111.799 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.77 123.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.79 123.54 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.384 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.02 138.49 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.115 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.25 45.25 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . 60.93 15.27 5.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.378 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.7 mttt -123.78 171.65 9.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 33' ' ' CYS . 35.3 tp -131.0 117.33 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.767 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -105.87 126.22 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -111.46 133.73 53.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -87.93 177.1 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.315 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.41 165.82 16.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.679 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -43.38 117.05 1.03 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' GLU . 41.8 pt -85.14 -36.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . 10.0 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 6.5 tpm_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.119 0.485 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.03 155.93 12.79 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 34.3 mt -138.42 141.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 111.705 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.4 mm? -99.92 111.57 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.92 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.521 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.3 m-20 -51.42 -27.23 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' O ' HG22 ' A' ' 118' ' ' THR . 94.4 mt 60.63 5.04 0.83 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.296 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -104.21 -8.44 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 62.1 p -141.76 57.14 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -150.52 171.42 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 22.6 m120 -137.26 131.05 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.256 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 87' ' ' LEU . 33.7 t -96.14 134.91 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -137.59 120.79 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -74.76 104.48 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.569 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -76.36 120.58 82.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.194 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.3 Cg_exo -78.04 -70.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.023 2.482 . . . . 0.0 112.745 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -59.04 -15.14 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.1 161.25 6.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.237 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' ' HG2' ' A' ' 98' ' ' GLU . 14.1 ttpp -116.92 165.36 13.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.761 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 62.75 -92.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.254 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -144.0 9.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.929 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -98.19 173.54 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -112.95 -61.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.27 98.45 11.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.751 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 90.0 t -125.15 154.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 111.684 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 19.7 m-85 -134.44 119.44 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 45.0 mt -100.0 139.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 71' ' ' VAL . 36.3 mt -101.53 130.04 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.203 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.1 mt-10 -115.12 107.3 50.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.695 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.8 Cg_endo -57.76 153.17 44.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.589 2.193 . . . . 0.0 112.731 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -120.79 0.45 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.343 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.85 -63.1 1.42 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -160.52 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.12 21.89 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.965 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.27 158.0 2.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 88.2 Cg_endo -85.92 143.1 8.01 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.941 2.427 . . . . 0.0 112.84 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 11.8 Cg_exo -71.23 168.08 24.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.779 2.319 . . . . 0.0 111.952 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.08 127.04 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.5 mp0 -95.53 142.29 28.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 111.244 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.51 147.62 52.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.508 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.86 151.27 34.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.949 0.404 . . . . 0.0 111.762 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.8 p -121.6 -169.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.827 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.83 2.55 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -145.06 162.28 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.17 -32.94 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.98 -50.65 32.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.78 -28.64 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.3 tp -67.86 -56.41 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.953 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -66.63 -27.62 67.84 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.59 -179.218 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.26 -57.99 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 111.867 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -68.75 -46.41 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 30.3 m-85 -70.44 -31.0 67.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.12 -33.23 71.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.398 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 m -68.33 -45.27 73.36 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.014 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.2 -35.35 57.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-O 121.258 0.551 . . . . 0.0 109.525 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.9 mtt180 -76.13 -27.96 57.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.214 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.84 -18.82 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.233 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.7 mt -108.2 -31.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.402 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' LEU . 77.5 p -98.15 -61.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.481 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 57.1 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.548 ' HB2' HD12 ' A' ' 35' ' ' ILE . 24.4 mm-40 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.936 0.398 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 51.4 tt0 -169.14 137.75 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 167.79 -132.9 2.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.96 136.63 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -138.02 166.36 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -110.36 140.83 44.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.2 mtp -138.01 136.91 37.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -56.24 122.11 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.449 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -104.95 102.1 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.38 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 p -76.25 -3.51 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.88 -50.94 29.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.44 0.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.079 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 54.37 72.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.77 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HE2' HG22 ' A' ' 29' ' ' THR . 24.6 pttm -171.73 176.44 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -106.26 116.32 31.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 27' ' ' LYS . 30.3 p -110.37 169.25 8.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -90.47 125.52 35.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -122.54 154.28 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -107.43 99.1 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.663 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -92.13 166.23 12.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.536 . . . . 0.0 111.936 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -171.86 119.77 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.269 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 14' ' ' GLN . 86.2 mt -88.57 114.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.098 0.475 . . . . 0.0 111.651 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.43 39.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.768 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 59.59 46.5 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.215 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 61.22 14.1 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.9 mttt -119.87 145.57 46.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 111.468 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.9 tp -107.87 116.98 32.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -112.68 120.39 41.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.242 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -105.87 130.88 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -87.78 162.39 17.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.7 165.61 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.62 133.35 3.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.3 pt -98.78 -35.13 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.98 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.954 0.407 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.57 161.06 34.81 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.066 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.75 135.74 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.582 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.4 mm? -103.17 108.96 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.871 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -49.22 -30.59 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.687 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.0 mt 62.08 4.78 1.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.54 -12.63 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.0 p -141.18 62.64 1.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.059 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -150.78 171.64 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 87' ' ' LEU . 70.1 t -96.15 134.66 32.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.77 120.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.839 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.18 104.56 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.625 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.43 119.88 78.68 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.546 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 91.2 Cg_endo -80.82 -63.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.789 2.326 . . . . 0.0 113.415 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.546 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 66.4 mt-30 -60.14 -10.68 4.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.1 51.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.108 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HD2' HD11 ' A' ' 86' ' ' ILE . 45.1 mtpt -141.8 149.87 40.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 111.09 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.28 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.176 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -146.67 13.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.97 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -101.96 166.97 10.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.9 m -106.14 -56.17 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.048 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.41 105.14 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.781 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 79.4 t -127.5 153.97 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.883 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 24.3 m-85 -135.21 126.09 27.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 78' ' ' LYS . 48.0 mt -107.57 137.92 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 71' ' ' VAL . 42.7 mt -99.43 128.32 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.285 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 41.6 mt-10 -114.56 108.14 49.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.625 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 16.2 Cg_endo -55.78 150.53 44.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.409 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -118.24 3.43 11.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.416 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.0 mt-30 -64.76 -61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -162.13 -91.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.68 22.13 7.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.963 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -54.42 158.44 4.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.613 0.244 . . . . 0.0 110.759 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.98 153.92 17.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.752 2.302 . . . . 0.0 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.85 168.23 9.52 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.968 2.445 . . . . 0.0 112.29 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -135.32 133.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -100.99 140.56 35.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' HG13 ' A' ' 84' ' ' VAL . 40.6 m-85 -129.28 158.41 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.54 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.03 153.23 23.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -121.74 -169.46 1.87 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -120.66 -10.6 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -138.55 166.69 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.0 -32.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.4 -49.39 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.17 -28.73 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.2 tp -67.19 -56.67 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.0 -27.54 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.566 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.55 -58.32 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.861 0.363 . . . . 0.0 111.836 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.416 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 23.5 m95 -67.64 -49.22 64.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.524 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.1 m-85 -66.44 -41.39 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.9 tm0? -59.83 -36.14 76.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -66.5 -43.97 83.86 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.921 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.61 -33.23 48.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 11.3 mtt180 -76.41 -29.99 57.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.019 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 113' ' ' SER . 31.2 mt-10 -63.03 -18.72 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.399 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 38' ' ' ALA . 65.5 mt -107.85 -30.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.599 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.6 p -101.35 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.3 t-105 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.486 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 1.4 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.94 0.4 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 61.5 tt0 -167.08 137.36 3.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.64 -143.85 8.0 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.38 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.6 143.92 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.59 173.65 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -126.39 138.55 53.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -134.83 147.61 49.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.648 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -64.97 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.68 104.07 10.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.447 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.8 p -74.51 -6.02 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.179 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mm -71.25 -49.15 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.43 1.92 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.099 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 51.05 68.19 0.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -166.51 178.84 5.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.992 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -106.11 113.25 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.766 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 80.4 p -99.93 163.54 12.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -104.81 121.77 44.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.61 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 135.76 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -73.84 96.75 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.182 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' HD11 ' A' ' 40' ' ' LEU . 71.6 m -85.67 159.92 19.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.448 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.39 125.06 1.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.9 mt -88.79 106.65 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.19 41.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.846 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.29 -83.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.29 2.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.585 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.0 mttt -115.69 150.48 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 111.444 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.7 tp -107.77 117.52 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.075 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -114.58 124.34 51.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 111.366 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -109.44 131.87 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.537 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -87.89 171.76 10.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.244 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.5 165.44 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 4.5 m-20 -45.25 138.56 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -99.96 11.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.398 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.43 153.51 24.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.126 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mt -142.43 137.64 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 111.593 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -98.31 113.28 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.931 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.0 m-20 -49.16 -34.33 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.2 mt 60.97 5.12 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.381 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -97.8 -19.35 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.05 0.452 . . . . 0.0 110.144 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.2 p -139.59 70.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.21 171.44 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.5 m-20 -138.9 130.9 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.264 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.0 t -95.99 129.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 0.0 111.138 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.9 OUTLIER -135.85 120.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.968 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.33 104.73 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.36 121.34 75.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.48 153.32 23.7 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.923 2.415 . . . . 0.0 112.597 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.24 23.23 4.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.94 -141.77 48.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.305 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -154.45 -39.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.73 0.3 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.19 -81.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -129.9 9.7 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -97.35 -174.34 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.192 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.0 m -131.16 -35.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.07 96.25 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.661 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 100' ' ' ALA . 40.2 t -125.75 146.29 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 112.047 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 18.5 m-85 -123.24 139.56 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.009 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 67.2 mt -116.43 137.49 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 112.474 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.2 mt -99.74 128.17 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.485 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.3 mt-10 -115.38 109.13 46.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.496 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.4 Cg_endo -54.42 153.08 23.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.54 2.16 . . . . 0.0 112.595 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -120.92 1.44 10.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.495 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.2 tp-100 -64.06 -63.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.45 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.596 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.36 37.99 2.09 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.552 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -75.7 159.5 81.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.523 0.201 . . . . 0.0 110.595 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.19 153.22 16.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.686 2.257 . . . . 0.0 112.93 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.51 168.23 13.0 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.755 2.303 . . . . 0.0 112.211 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.6 t -139.51 133.54 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 0.0 111.47 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.3 mp0 -102.5 143.01 32.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.234 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 84' ' ' VAL . 38.0 m-85 -130.97 158.97 38.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 153.73 24.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.987 0.422 . . . . 0.0 111.9 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -121.31 -169.89 1.93 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.718 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -119.81 -1.68 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 93.6 mtt180 -146.42 164.13 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.01 -31.48 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.09 -52.01 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 103' ' ' ARG . 5.7 mm-40 -59.56 -26.62 65.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 0.0 110.033 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.5 tp -67.84 -56.69 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -66.5 -27.4 67.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.517 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.486 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.89 -58.23 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.376 . . . . 0.0 111.863 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -68.37 -49.05 62.91 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -65.27 -42.59 93.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 23.1 tm0? -58.98 -36.47 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 55.5 m -66.3 -42.97 87.56 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.799 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.46 -32.7 49.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 13.1 mtt180 -75.7 -29.82 59.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 113' ' ' SER . 34.5 mt-10 -65.75 -17.98 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.907 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.32 -31.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.7 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -108.38 -60.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 111.514 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 74.6 t-105 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -135.76 146.66 47.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.32 -129.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.457 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -139.48 144.19 37.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.92 169.95 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.07 142.08 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.5 mtp -134.66 137.97 44.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -60.79 123.17 16.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.381 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.76 105.82 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 p -80.31 -0.36 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.246 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.97 -39.25 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.296 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.52 -0.43 8.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.892 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.78 72.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -169.81 176.09 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.924 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -106.23 132.91 51.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.731 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -130.53 165.0 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.49 121.53 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -119.65 129.22 54.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -73.94 103.33 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.276 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 92.4 m -93.96 160.66 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.653 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.27 117.47 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.71 123.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 111.441 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 139.48 20.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.31 43.82 19.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 61.11 16.89 7.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -123.92 170.31 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.6 tp -130.84 117.35 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.456 ' HB3' HG12 ' A' ' 63' ' ' ILE . 35.8 p -106.71 120.65 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -104.73 138.7 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.132 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.4 m -92.97 159.13 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.62 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.9 p-10 -61.26 165.76 4.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.762 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.14 121.74 5.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.432 HG13 ' HG3' ' A' ' 47' ' ' GLU . 41.2 pt -95.8 -31.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.643 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG3' HG13 ' A' ' 46' ' ' ILE . 34.7 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 12.1 tpp180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.067 0.461 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.39 154.57 8.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.959 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 41' ' ' SER . 36.2 mt -135.43 142.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.643 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -104.06 110.73 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.912 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.519 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -50.97 -27.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 96.7 mt 60.03 4.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -99.15 -12.79 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.275 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.2 p -139.49 61.56 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 88' ' ' GLU . 20.3 m-85 -151.7 170.85 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.594 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.6 m-20 -137.97 130.85 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.383 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.4 125.92 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.158 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -132.13 121.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.961 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -74.56 104.69 5.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.507 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -78.28 120.7 82.11 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.356 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_exo -76.38 156.7 37.02 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.998 2.465 . . . . 0.0 112.528 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 56.86 13.19 1.38 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.74 -171.26 5.89 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.445 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -139.9 154.84 47.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 110.726 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 65.84 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.994 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -144.68 18.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.9 176.2 5.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.444 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -119.76 -26.38 5.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.19 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.41 103.61 7.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.537 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 99' ' ' PHE . 40.7 t -129.9 148.65 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.4 m-85 -124.82 152.7 43.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.525 ' HB ' HG23 ' A' ' 72' ' ' VAL . 60.6 mt -130.19 133.58 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.33 125.7 41.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.475 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -113.69 111.66 48.68 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.886 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 34.4 Cg_endo -60.85 127.77 23.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.435 2.09 . . . . 0.0 112.097 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.63 6.92 5.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.458 ' HG3' ' OD2' ' A' ' 94' ' ' ASP . 11.0 pt20 -110.13 115.59 30.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 41.35 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.371 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.9 47.13 2.04 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.527 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 7.8 m-20 -61.47 164.43 9.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 50.8 Cg_endo -65.69 142.51 70.71 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.318 2.679 . . . . 0.0 113.359 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.73 168.18 7.06 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.968 2.445 . . . . 0.0 111.892 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.1 128.06 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.752 0.31 . . . . 0.0 111.293 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -101.4 143.07 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 47.3 m-85 -131.76 162.66 29.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.536 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.39 156.89 29.27 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.897 0.38 . . . . 0.0 111.599 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.1 p -124.32 -173.8 2.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 103' ' ' ARG . 1.6 p-10 -113.37 -11.98 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HG3' ' OD2' ' A' ' 102' ' ' ASP . 43.0 mtm180 -141.31 171.82 13.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.984 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.23 -39.55 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.13 -52.35 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.73 -26.96 66.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.0 tp -68.5 -56.59 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -67.18 -27.61 67.42 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.584 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.05 -57.77 4.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.891 0.377 . . . . 0.0 111.677 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -69.21 -49.02 60.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -66.66 -31.61 72.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.7 tm0? -70.35 -35.43 73.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 46.2 t -68.66 -49.07 62.01 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.407 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.9 mt -54.24 -34.86 28.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 56.9 ttt180 -76.48 -33.0 58.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.337 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 25.8 mt-10 -57.52 -19.14 22.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.821 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -109.05 -21.37 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.947 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.6 p -107.81 11.99 27.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 29.1 m95 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.948 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -123.47 143.2 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 -138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.346 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.24 144.94 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.47 166.27 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.55 137.58 52.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 83.8 mtp -130.73 131.69 44.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.78 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.61 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.6 t-105 -58.46 109.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.526 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.13 100.9 8.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -73.85 1.84 9.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.912 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mm -89.4 -61.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.77 -6.58 45.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.3 mp0 58.46 72.27 0.54 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.391 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -169.79 172.65 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.697 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -107.17 125.59 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.3 p -117.07 169.06 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -91.03 121.8 33.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -120.25 157.43 29.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 74.4 t80 -114.79 98.95 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.68 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -94.17 166.99 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.149 0.5 . . . . 0.0 111.854 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.91 117.56 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.487 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -88.65 132.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.001 0.429 . . . . 0.0 111.304 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.38 120.92 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 65.99 -80.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -151.29 14.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 88.4 mttt -121.99 142.14 50.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 111.557 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.3 tp -107.67 117.03 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.739 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -111.7 121.38 44.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.541 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -108.21 138.77 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.386 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 88.1 p -92.96 163.65 13.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.391 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.512 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 21.0 t70 -72.06 165.67 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -42.07 115.43 0.67 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.73 -31.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.294 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.085 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.3 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.078 0.466 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.89 150.56 12.57 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.713 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.4 mt -137.86 124.58 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -94.2 106.28 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.853 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.56 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.7 p-10 -53.74 -25.47 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.744 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.8 mt 62.49 5.14 1.53 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.442 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -89.65 -4.36 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 65' ' ' ASP . 4.3 t -153.65 63.86 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.377 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -151.76 171.2 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 89.8 m-20 -138.93 129.97 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.333 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.28 127.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.513 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.78 124.12 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.005 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -77.52 104.51 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.332 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -77.29 120.77 82.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.1 Cg_endo -82.17 -64.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.059 2.506 . . . . 0.0 112.786 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.05 -17.79 11.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.31 -159.1 22.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -138.93 -61.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.213 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -140.29 103.2 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 57.04 16.45 2.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.501 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -118.73 157.82 26.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.4 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -109.22 -49.4 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -100.44 104.34 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.865 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 100' ' ' ALA . 20.7 t -136.41 149.8 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 111.867 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -124.98 152.25 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 72' ' ' VAL . 58.5 mt -131.0 134.53 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.1 mt -96.56 126.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.396 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.9 mt-10 -114.77 110.09 46.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.844 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -58.2 143.59 96.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.453 2.102 . . . . 0.0 112.294 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -107.43 5.68 27.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -75.52 -84.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.32 -139.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.25 33.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.339 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.535 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -63.17 155.96 71.0 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.543 0.211 . . . . 0.0 110.682 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.48 150.41 15.0 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.3 . . . . 0.0 112.985 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.52 168.36 9.93 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.879 2.386 . . . . 0.0 112.214 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.52 131.84 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -101.33 142.56 32.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.011 0.434 . . . . 0.0 111.352 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 84' ' ' VAL . 42.4 m-85 -130.52 159.04 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.344 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -156.75 161.5 39.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.047 0.451 . . . . 0.0 111.822 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.7 p -132.68 -174.96 3.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.45 -3.26 9.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -146.6 162.74 37.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.771 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.71 -25.55 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.3 -53.26 14.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.02 -32.5 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.407 . . . . 0.0 110.314 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.1 tp -65.5 -56.35 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.66 -29.31 69.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.661 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.67 -58.01 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -68.73 -49.03 62.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' HE2' HD12 ' A' ' 107' ' ' LEU . 41.7 m-85 -68.59 -31.06 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.8 tm0? -70.0 -35.29 74.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 57.1 m -68.7 -48.07 64.81 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.248 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.9 -34.82 38.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.0 mtt180 -76.9 -27.9 55.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.624 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 113' ' ' SER . 20.3 mt-10 -57.83 -22.44 47.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.601 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 117' ' ' ILE . 3.0 mp -96.44 -40.91 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.659 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.6 p -94.25 -64.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.446 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 65.7 t-105 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.771 0.319 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -136.16 139.4 42.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.93 -147.73 8.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.87 139.12 50.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.8 mt -135.65 171.56 14.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.977 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -120.44 127.48 52.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -124.32 148.23 47.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -60.02 128.35 36.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.44 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.39 100.98 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.383 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 p -73.3 -7.29 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.287 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.73 -56.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 110.399 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -107.58 1.55 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 53.38 70.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.564 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.13 179.34 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.904 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -101.89 128.55 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.6 p -124.11 168.98 12.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -90.28 135.25 33.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -133.48 154.2 51.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 80.6 t80 -102.93 95.86 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.559 ' HB3' HD11 ' A' ' 40' ' ' LEU . 78.6 m -91.78 160.57 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.562 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.65 121.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.4 mt -88.65 124.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 111.361 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.58 121.4 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.962 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 65.1 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.191 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -147.17 10.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.358 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 67.8 mttm -119.1 165.56 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.9 tp -128.57 117.63 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HB3' HG12 ' A' ' 63' ' ' ILE . 38.9 p -106.52 122.01 45.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.316 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -105.13 131.31 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 48.3 t -88.72 159.27 17.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.405 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.98 165.58 23.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.587 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.25 131.69 4.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.024 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.95 4.7 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.525 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.077 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 6.0 tpm_? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.997 0.427 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.44 155.99 20.06 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.006 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 41' ' ' SER . 43.7 mt -137.76 140.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.565 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.1 mm? -102.23 111.09 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 5.3 m-20 -50.88 -27.73 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.4 mt 60.24 6.09 0.94 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -104.04 1.07 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.379 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -152.92 55.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -146.65 171.36 15.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.71 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 21.0 m120 -137.03 131.09 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.351 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 87' ' ' LEU . 59.1 t -96.06 131.39 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -132.33 128.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -80.37 104.71 11.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.64 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.42 120.5 80.61 Favored Pre-proline 0 C--O 1.237 0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.137 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.26 151.44 29.89 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.843 2.362 . . . . 0.0 112.757 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 55.97 15.41 1.73 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.22 -169.61 13.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.391 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -138.68 149.43 45.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.559 0.218 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 69.65 -77.81 0.05 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.016 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -145.36 16.39 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.4 178.24 4.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.7 m -123.13 -26.28 4.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.367 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -129.04 102.45 6.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -127.87 147.69 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 111.884 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.3 m-85 -131.51 123.71 28.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.44 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 62.7 mt -101.52 141.5 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.1 mt -101.21 129.39 47.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.304 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -114.98 103.89 54.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.713 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 19.9 Cg_endo -59.83 153.13 58.89 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.479 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.502 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.445 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 51.1 tt0 -59.72 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -154.98 85.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.729 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.5 21.14 2.93 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.444 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.463 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -56.93 158.83 8.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.681 0.24 . . . . 0.0 110.706 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.09 149.79 41.9 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.57 2.18 . . . . 0.0 112.899 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.31 168.31 11.73 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.902 2.401 . . . . 0.0 112.307 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.48 130.65 57.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.29 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.557 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -97.66 139.76 33.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.285 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.69 159.48 35.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.1 158.83 35.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 111.685 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.421 ' OG1' HD23 ' A' ' 107' ' ' LEU . 64.3 p -125.97 -167.95 1.78 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.78 -2.14 6.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 107' ' ' LEU . 95.6 mtt180 -140.44 165.73 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.19 -37.6 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.01 -53.6 36.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 110' ' ' TRP . 6.7 mm-40 -60.03 -31.33 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 110.04 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 103' ' ' ARG . 2.4 tm? -57.16 -56.71 18.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.1 t80 -72.46 -42.86 64.49 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.279 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.74 -58.21 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.3 m95 -60.6 -49.18 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -70.81 -30.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.583 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.4 tm0? -60.65 -37.48 81.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.3 p -69.24 -46.26 67.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.78 -34.56 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 12.9 mtt180 -76.49 -31.57 57.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.357 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.1 -18.77 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.648 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 66' ' ' LEU . 72.5 mt -107.74 -30.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.4 p -101.01 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.7 t-105 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -148.12 145.18 28.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.72 128.94 22.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.46 136.03 35.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -156.75 149.26 23.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -58.51 136.32 57.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.5 109.29 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -134.08 146.91 50.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.91 -143.19 7.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.423 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -119.82 153.41 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.55 175.74 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -125.22 138.31 54.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.03 0.443 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 78.7 mtp -133.42 137.31 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.8 t-105 -57.2 125.51 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.38 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -117.17 99.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.481 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -71.7 -6.37 40.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -66.0 -42.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.272 0.558 . . . . 0.0 109.635 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.45 2.49 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.67 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 50.24 69.94 0.56 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.987 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -167.47 177.49 5.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.939 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -109.45 115.61 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -106.07 168.43 9.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -94.73 126.27 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -123.0 144.1 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 77.3 t80 -89.69 95.83 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.092 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB3' HD11 ' A' ' 40' ' ' LEU . 96.7 m -90.52 160.68 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.582 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.88 118.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.598 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -88.73 125.77 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.369 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 121.26 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 65.2 -81.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.33 13.67 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.469 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 99.2 mttt -122.9 160.3 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.342 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 33' ' ' CYS . 31.6 tp -123.4 117.61 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 p -108.5 125.98 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.401 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -113.59 134.55 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 45.0 t -93.34 164.32 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.365 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.77 166.03 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 49' ' ' THR . 4.3 m-20 -41.45 132.0 2.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.96 1.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 10.4 pt-20 -158.12 -35.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 77.9 mt-30 -94.5 32.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 66.8 p -53.59 134.55 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.3 mmt -114.26 24.1 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 44.3 mt-10 -53.37 113.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.204 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.57 -46.65 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.647 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.57 18.47 9.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.525 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 27.5 m-80 57.66 69.93 1.45 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.87 -161.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.834 2.356 . . . . 0.0 112.141 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.98 -60.46 3.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.89 -61.16 4.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.552 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p 50.93 -167.11 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.865 0.364 . . . . 0.0 111.228 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -103.78 -67.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.9 p -72.06 96.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 6.7 tpm_? -78.93 -26.14 43.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.456 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.08 151.97 12.95 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.96 138.37 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.5 mm? -101.23 110.92 23.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.971 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.538 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.5 m-20 -52.35 -26.98 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 98.0 mt 60.56 7.45 1.37 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.276 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -102.87 -9.53 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.354 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -141.31 57.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -149.59 171.51 16.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -139.49 131.24 27.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.5 t -96.2 134.81 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 111.298 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.8 OUTLIER -139.16 120.63 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.79 104.34 3.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . -76.14 120.7 82.84 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.18 155.54 42.11 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.943 2.429 . . . . 0.0 112.282 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 56.88 13.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.75 -168.42 3.71 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.572 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.563 ' H ' ' HB2' ' A' ' 81' ' ' LYS . 36.7 mtpt -145.11 137.83 26.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 54.46 82.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.294 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 60.23 17.1 6.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.177 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' HB2' ' H ' ' A' ' 78' ' ' LYS . 71.8 mmtt -113.5 167.63 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.485 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.0 t -124.2 -25.75 4.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.617 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.89 105.54 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 100' ' ' ALA . 27.0 t -133.09 150.94 33.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 21.2 m-85 -129.6 135.05 48.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.215 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.545 HG12 ' HG3' ' A' ' 98' ' ' GLU . 70.8 mt -113.86 138.63 43.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.3 mt -100.04 130.47 46.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.28 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.7 mt-10 -117.63 107.09 45.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.687 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 14.9 Cg_endo -56.18 152.96 35.29 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.553 2.169 . . . . 0.0 112.414 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.3 mtpt -121.58 3.32 10.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.495 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 58.7 tp60 -61.81 -62.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.08 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.13 31.8 2.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.72 158.95 81.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.566 0.222 . . . . 0.0 110.615 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.27 153.31 14.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 112.895 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -83.82 168.14 12.56 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.891 2.394 . . . . 0.0 112.196 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.57 131.71 47.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.335 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.08 141.8 31.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 84' ' ' VAL . 41.8 m-85 -130.31 158.38 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.481 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 162.28 36.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.023 0.44 . . . . 0.0 111.77 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -135.74 -173.59 3.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.48 7.47 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -146.51 160.6 41.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.41 -33.82 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.152 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.01 -50.24 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.42 -32.36 70.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.017 0.437 . . . . 0.0 110.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.73 -56.33 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.5 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.98 -27.7 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.659 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.39 -58.08 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -68.63 -41.08 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.1 m-85 -75.02 -30.92 61.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.74 -33.0 71.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -68.72 -46.81 67.95 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.126 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.2 -34.49 45.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.452 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 87.3 mtt180 -76.37 -31.6 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 113' ' ' SER . 12.1 mm-40 -60.21 -19.75 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.469 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 66' ' ' LEU . 73.1 mt -108.54 -32.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.555 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' LEU . 66.1 p -98.5 -62.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.342 . . . . 0.0 111.297 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 -53.72 -26.23 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -130.45 131.59 45.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.1 pt -141.45 113.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.0 111.329 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -105.39 110.31 22.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.2 m -145.86 114.64 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.3 pttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.041 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 8.1 mtpm? 59.52 -177.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.51 142.59 33.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.97 -63.55 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -140.01 162.41 35.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 58.43 98.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.264 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 -78.23 104.32 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 80.0 mt-30 -125.15 133.08 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.85 -132.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.452 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -130.19 139.67 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.997 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.47 160.3 42.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -106.81 145.21 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 mtm -141.25 139.31 33.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -57.94 123.63 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -107.38 104.12 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 p -78.83 -1.68 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.363 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 24' ' ' ILE . 3.7 mp -75.46 -45.31 40.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 110.225 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.79 0.18 11.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.011 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 54.2 72.74 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.743 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -171.46 176.48 3.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.849 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -105.28 129.39 53.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.6 p -124.44 165.64 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -94.67 122.31 37.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -117.55 163.09 16.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -109.01 97.6 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.852 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.562 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.5 m -87.53 162.42 17.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.812 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.36 113.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.705 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.4 mt -88.92 113.15 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.222 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.38 122.78 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 63.68 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.33 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.36 7.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.403 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.7 mttt -119.38 158.82 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.193 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.0 tp -120.99 117.61 27.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -108.74 120.28 42.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.994 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -105.23 132.69 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.616 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.8 m -95.38 176.94 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 4.9 p-10 -66.98 165.21 16.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.42 151.19 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -101.97 -4.16 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.521 ' HG3' ' HG2' ' A' ' 48' ' ' GLN . 10.3 pt-20 -153.4 -34.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.521 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 21.5 mm-40 -92.78 29.56 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.1 p -51.3 -57.61 8.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.412 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mmt 56.84 89.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -128.99 128.58 43.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.018 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.52 -48.76 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -140.28 19.52 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m120 56.5 69.9 1.63 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.88 -56.57 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.762 2.308 . . . . 0.0 112.367 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 tp -132.81 149.87 52.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.67 43.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -74.13 178.62 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.8 tp -96.14 -72.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.2 p -61.36 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 33.4 mmt180 -92.69 7.58 42.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.8 151.04 5.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.995 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 46.6 mt -138.89 141.17 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 111.448 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -103.01 110.58 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 p30 -51.25 -29.08 13.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 118' ' ' THR . 89.3 mt 62.19 4.22 1.18 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.637 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.28 -8.42 21.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.923 0.392 . . . . 0.0 110.305 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 78.4 p -143.34 61.61 1.39 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.92 171.34 17.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.586 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 20.7 m120 -138.29 131.13 29.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.3 t -96.14 132.34 40.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.904 0.383 . . . . 0.0 111.153 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -138.32 120.95 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -75.72 104.68 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.521 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.39 120.87 83.59 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.265 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.04 -70.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.934 2.423 . . . . 0.0 112.849 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -55.11 -21.42 12.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.19 -162.96 12.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.227 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HD3' HD11 ' A' ' 86' ' ' ILE . 20.1 mmmt -138.52 -28.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -141.5 -83.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -127.3 7.21 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.77 -173.92 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.981 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t -128.38 -54.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.948 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -92.37 92.43 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.65 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 67.9 t -117.91 155.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 111.894 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 27.8 m-85 -136.11 125.12 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.193 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 57.2 mt -106.5 138.12 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' HG22 ' A' ' 71' ' ' VAL . 43.3 mt -99.97 128.28 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.303 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.2 mt-10 -114.68 104.97 54.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.73 152.02 59.58 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.42 2.08 . . . . 0.0 112.553 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -115.98 1.4 13.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.355 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 49.2 tt0 -97.46 129.66 44.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 43.8 -92.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.797 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.84 33.35 0.44 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.771 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -50.57 160.85 0.7 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 110.95 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.1 156.65 11.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.747 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.68 168.1 14.44 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.789 2.326 . . . . 0.0 112.299 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.67 129.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.6 mp0 -96.52 141.34 29.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.924 0.392 . . . . 0.0 111.324 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.6 m-85 -130.69 156.97 44.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.465 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.08 147.83 18.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 111.822 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.6 p -118.08 -172.54 2.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.709 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.12 -9.32 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 61.5 mtt180 -139.39 161.59 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.46 -28.17 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.25 -52.99 18.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' HB2' ' A' ' 103' ' ' ARG . 7.4 mt-10 -60.45 -30.64 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.228 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.532 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -66.97 -56.76 8.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.51 -28.01 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.574 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.455 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -74.85 -58.37 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -69.11 -49.32 58.14 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.532 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.5 m-85 -67.13 -42.56 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.4 tp60 -60.93 -35.29 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.424 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -68.56 -45.92 70.83 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.022 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.86 -33.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 88.0 mtt180 -76.09 -36.04 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.588 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 35.1 mt-10 -59.64 -17.86 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.441 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.46 -21.75 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' LEU . 70.7 p -113.01 -57.25 2.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.766 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 4.5 m95 -56.77 -20.12 20.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.04 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -84.85 20.0 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.78 103.06 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.93 159.23 24.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 82.7 p -110.2 13.52 23.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 124' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? 58.36 -173.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -94.12 179.44 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -86.27 -67.16 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -135.8 153.35 51.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -122.98 143.45 49.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' HB2' HD12 ' A' ' 35' ' ' ILE . 23.0 mm-40 -73.98 138.53 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 51.4 tt0 -169.05 137.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.59 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 170.41 -135.74 3.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.49 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -128.63 132.74 48.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.77 172.06 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -121.96 136.89 54.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.5 mtm -133.39 141.01 47.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -57.29 131.17 49.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -115.02 100.44 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.368 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.5 p -72.33 -7.95 52.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.388 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.6 -55.61 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.491 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -108.25 -0.01 21.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.64 68.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.572 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -170.23 176.65 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.669 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -103.49 134.25 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -121.26 169.0 11.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -97.9 122.31 40.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -120.58 160.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 40.5 t80 -109.85 96.02 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.747 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 40' ' ' LEU . 85.0 m -89.01 162.91 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.861 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -169.81 116.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.587 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 14' ' ' GLN . 87.5 mt -88.77 136.84 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.318 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.14 134.54 2.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.29 41.32 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 60.56 22.54 12.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.434 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 27.7 mtmt -131.69 135.68 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 33' ' ' CYS . 28.5 tp -107.44 117.04 33.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -111.7 116.45 30.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.051 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -103.94 133.0 49.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 94.2 p -89.25 161.63 16.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.71 165.6 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 48' ' ' GLN . 11.1 m-20 -45.88 142.52 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -103.2 -28.06 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.678 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.25 -32.64 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.35 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 57.6 tp60 -69.1 -60.48 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 ' H ' ' HB2' ' A' ' 45' ' ' ASP . 71.1 p 53.51 111.83 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.2 mtm -94.24 1.31 56.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.86 138.16 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.46 -67.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -114.26 14.33 18.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t30 56.33 68.27 2.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.801 2.334 . . . . 0.0 112.029 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tt -165.22 103.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.13 82.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.616 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -62.65 144.56 56.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.671 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.5 -77.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -56.58 102.35 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -82.22 -37.03 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.671 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.81 166.47 36.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 39' ' ' LYS . 62.6 mt -141.5 139.22 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.512 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.3 mm? -107.76 107.99 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.859 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.3 t70 -55.77 -22.15 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.392 . . . . 0.0 110.661 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.0 mt 61.25 9.87 2.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.387 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -109.08 -6.85 15.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.425 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.0 p -139.45 53.25 1.72 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.427 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -151.49 169.31 22.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.4 m-20 -137.83 131.74 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 87' ' ' LEU . 24.8 t -96.28 133.9 35.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.864 0.364 . . . . 0.0 111.096 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -136.74 120.87 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.26 104.67 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.417 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.27 120.79 82.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.321 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 83.9 Cg_endo -78.11 -52.77 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.791 2.327 . . . . 0.0 113.044 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 65.3 mt-30 -79.92 11.01 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.731 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 -140.2 29.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.298 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -149.89 -59.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -136.92 102.57 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 58.64 14.79 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.405 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -115.97 164.24 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.47 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -114.32 -51.46 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -98.36 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.6 t -132.65 152.6 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 111.748 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.9 m-85 -133.7 122.82 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 98' ' ' GLU . 64.2 mt -103.28 139.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 71' ' ' VAL . 28.4 mt -100.81 130.93 46.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.164 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.0 mt-10 -117.32 111.14 40.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.031 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 33.5 Cg_endo -61.19 132.5 41.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.553 2.169 . . . . 0.0 112.326 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -87.03 5.44 37.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.684 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.54 -7.3 55.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 94' ' ' ASP . 19.8 mt-30 63.24 152.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.621 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.81 -23.78 0.83 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.503 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -75.9 156.36 84.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.561 0.219 . . . . 0.0 110.657 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -84.64 152.35 11.67 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.849 2.366 . . . . 0.0 113.075 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.83 168.32 10.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.908 2.406 . . . . 0.0 112.217 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.4 t -132.47 120.89 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.555 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -91.31 143.62 26.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.335 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 84' ' ' VAL . 44.3 m-85 -130.29 157.99 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.639 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.17 154.37 27.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 111.78 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.4 p -127.65 -172.26 2.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.39 3.19 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -146.44 158.99 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.721 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.9 -30.13 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.799 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.08 -51.99 22.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.36 -27.8 66.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.497 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.8 tp -66.63 -56.71 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.024 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.84 -27.42 67.53 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.561 -179.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -72.61 -58.14 3.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.851 0.358 . . . . 0.0 111.819 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.406 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 19.1 m95 -68.31 -49.15 62.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.497 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.9 m-85 -67.34 -36.08 80.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -65.47 -33.81 76.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.664 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 m -68.6 -45.64 71.43 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.99 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.84 -35.56 51.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 74.9 mtt180 -76.36 -29.06 57.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.406 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.8 -18.94 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.517 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' ALA . 84.2 mt -108.3 -31.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 66' ' ' LEU . 72.3 p -99.68 -61.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 111.204 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 -59.06 -26.01 64.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.165 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' A' ' 120' ' ' LYS . 3.1 mmmp? -115.96 141.66 47.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 121' ' ' ILE . 4.1 mp -115.74 99.36 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.15 107.45 17.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.5 t -159.85 160.0 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 pttt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -164.59 19.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -110.32 118.01 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.09 -35.32 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -111.24 144.94 39.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -92.65 157.2 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.19 116.96 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 26.8 tt0 -147.46 140.94 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.55 -139.61 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -126.13 144.19 50.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -146.89 168.8 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -115.05 143.61 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.1 mtp -137.18 140.31 41.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.699 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -63.29 113.37 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.201 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.53 108.35 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.85 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -82.2 8.03 12.11 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.566 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.7 mt -105.83 -28.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.68 -1.22 12.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.56 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.6 mp0 43.41 61.66 2.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.666 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.67 -171.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.142 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -113.45 108.59 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.528 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.541 HG22 ' HG3' ' A' ' 48' ' ' GLN . 49.3 p -102.57 167.67 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -100.05 133.51 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -89.17 96.85 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.7 m -84.75 154.15 22.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.804 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -166.79 116.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.367 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -88.28 124.25 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.35 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.04 130.16 51.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.77 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.13 11.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.1 mttt -125.97 173.51 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.5 tp -121.98 117.79 27.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.484 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 p -101.5 109.39 21.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -101.26 142.66 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -88.01 173.54 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.4 p30 -76.88 165.28 24.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.636 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.67 126.81 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.556 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 pt -100.02 -27.85 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.675 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.09 -50.21 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 29' ' ' THR . 18.3 mm-40 -83.89 -40.68 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.528 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.4 p 53.38 111.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.849 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mtp -90.54 6.53 43.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.807 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.6 mt-10 -66.45 120.5 13.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.44 -64.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -114.51 17.41 17.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.658 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 26.6 t-20 57.26 70.21 1.42 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.45 -60.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.779 2.319 . . . . 0.0 112.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.7 tp -166.36 109.85 0.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 76.86 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -65.4 162.35 17.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -78.56 -36.39 44.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.4 t -101.5 81.31 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.897 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.7 tpt180 -69.82 -28.63 65.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.544 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.07 13.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.242 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.29 138.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.5 tp -109.6 100.46 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.384 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.4 m-20 -59.54 100.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -77.72 26.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.178 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 65' ' ' ASP . 16.5 m120 -112.87 -6.34 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.6 p -141.18 58.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -152.88 171.13 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.585 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.7 m-20 -137.33 128.28 27.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.912 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.7 t -95.95 128.79 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 111.314 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -130.55 135.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.71 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -86.32 110.97 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.24 120.11 69.76 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.182 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.564 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 86.2 Cg_endo -79.94 -64.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.872 2.381 . . . . 0.0 113.512 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.564 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 67.1 mt-30 -59.49 -12.61 6.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.09 163.5 6.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.088 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 24.4 ttmm -122.01 160.29 25.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.756 0.312 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 m120 65.99 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.214 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -148.49 12.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -98.4 177.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.329 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.2 p -116.09 -58.82 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.933 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.83 101.99 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.64 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 99' ' ' PHE . 96.6 t -131.94 147.76 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 112.003 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.472 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 10.2 m-85 -127.17 123.97 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.573 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.9 mt -99.35 142.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.181 0.515 . . . . 0.0 112.3 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 71' ' ' VAL . 78.9 mt -104.67 130.4 52.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.291 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.3 mt-10 -116.26 111.22 42.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.838 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 29.5 Cg_endo -60.1 131.2 37.82 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.582 2.188 . . . . 0.0 112.201 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -87.46 11.16 15.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.696 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.1 mm100 -63.88 -67.43 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -172.86 -67.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.21 23.67 2.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.141 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.597 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -63.19 163.86 16.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.577 0.227 . . . . 0.0 110.824 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 93.9 Cg_endo -76.35 148.44 30.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.888 2.392 . . . . 0.0 113.152 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.22 168.33 7.64 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.941 2.427 . . . . 0.0 112.175 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.77 126.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 78' ' ' LYS . 1.5 mp0 -95.01 144.67 25.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.41 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.4 m-85 -132.34 147.14 52.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.71 153.19 38.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 111.805 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.412 HG21 ' HA ' ' A' ' 107' ' ' LEU . 44.7 p -123.11 -171.66 2.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.866 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.35 -2.17 10.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -144.43 164.61 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 p -78.26 -31.64 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.23 -54.12 12.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.07 -25.48 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.154 0.502 . . . . 0.0 109.87 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HA ' HG21 ' A' ' 101' ' ' THR . 5.5 tp -66.94 -57.52 6.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.29 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.0 t80 -70.5 -33.53 71.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.532 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.86 -57.78 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.418 . . . . 0.0 111.434 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -66.99 -39.15 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.242 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 11.6 m-85 -75.15 -30.43 60.75 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 23.0 tm0? -68.0 -37.11 81.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.6 t -67.8 -45.07 75.84 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.85 -35.67 52.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 79.1 mtt180 -76.42 -28.65 56.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.438 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 113' ' ' SER . 23.8 mt-10 -60.41 -22.29 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.399 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.32 -32.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.717 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.8 p -96.2 -60.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 63.9 t-105 -61.25 -23.61 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -123.09 163.38 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.52 102.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -81.85 113.97 20.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 62.9 m -104.05 -60.3 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.009 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.686 0.279 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt 58.83 96.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.04 97.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.67 107.46 19.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -158.86 -69.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt 63.98 122.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -87.57 107.59 18.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -135.7 152.69 51.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.67 -125.32 1.35 Allowed Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.57 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -126.52 163.02 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 111.052 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.84 158.08 22.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -113.63 135.25 54.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.1 mtm -131.12 138.07 49.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -57.96 119.28 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.322 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -102.29 104.57 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 p -78.84 -1.56 35.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -75.71 -44.11 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.49 0.16 10.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 53.66 72.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.478 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.52 175.66 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.13 120.04 40.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.538 HG22 ' HG2' ' A' ' 48' ' ' GLN . 44.1 p -113.83 168.74 9.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -91.76 127.48 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -123.52 143.61 50.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -97.92 99.93 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.037 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' HB3' HD11 ' A' ' 40' ' ' LEU . 79.9 m -93.9 166.04 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.692 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.52 115.92 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.652 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.4 mt -88.68 139.67 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.397 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.76 122.03 12.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 64.15 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -150.67 24.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 87.4 mttt -134.35 142.11 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.771 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.7 tp -107.78 117.38 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.158 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -109.63 124.75 51.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -109.58 143.44 39.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.745 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -100.44 171.6 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.002 0.43 . . . . 0.0 111.375 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 20.5 t70 -69.14 165.87 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.742 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -43.08 139.04 1.92 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.556 HG13 ' HG2' ' A' ' 47' ' ' GLU . 42.5 pt -96.53 -5.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.617 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 46' ' ' ILE . 8.1 pt-20 -164.16 -30.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.538 ' HG2' HG22 ' A' ' 29' ' ' THR . 17.1 tp60 -88.75 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -56.19 149.33 16.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.3 mmm -127.06 15.92 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 44.1 mt-10 -59.98 117.39 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.83 -48.34 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.35 21.6 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.589 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 63.8 m-20 57.02 69.99 1.52 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.54 -49.55 4.29 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.734 2.289 . . . . 0.0 112.21 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.1 tp -151.93 110.49 3.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.69 44.36 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.548 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -72.18 146.25 47.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.29 -74.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -66.51 115.18 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.7 mmm180 -98.65 -25.76 14.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.16 160.5 34.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.9 mt -143.81 125.47 10.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 0.0 111.534 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.7 mm? -88.99 106.67 18.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.005 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.635 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.0 m-20 -54.07 -23.42 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.57 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 38' ' ' ALA . 80.3 mt 63.95 0.53 0.97 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.261 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.3 m120 -104.79 -3.45 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.19 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -140.75 41.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -149.42 171.17 17.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.022 0.439 . . . . 0.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 90.4 m-20 -142.16 119.15 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.268 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG11 HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -95.16 125.85 47.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.236 0.541 . . . . 0.0 111.266 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -123.87 153.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.105 -179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -95.82 105.02 16.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.49 121.16 70.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -81.0 168.77 16.93 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.967 2.445 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 55.49 21.09 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.32 -144.1 40.3 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.387 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 86' ' ' ILE . 16.3 tppt? -149.22 -45.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -121.13 -79.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -123.97 15.03 9.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -97.84 -176.57 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.348 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -125.47 -30.77 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.941 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 107' ' ' LEU . 27.6 m-85 -126.22 108.23 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.629 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 100' ' ' ALA . 53.1 t -131.87 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.2 m-85 -116.51 161.38 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 72' ' ' VAL . 67.3 mt -136.51 137.36 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 87' ' ' LEU . 31.2 mt -99.67 130.7 45.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 39.8 mt-10 -118.36 107.82 42.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.547 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.9 Cg_endo -55.69 153.53 29.66 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.469 2.113 . . . . 0.0 112.477 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -122.62 2.04 9.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.491 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.5 tp-100 -64.65 -73.36 0.12 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.24 -80.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 34.04 2.67 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.66 159.92 75.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.512 0.196 . . . . 0.0 110.639 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.03 153.99 11.16 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.767 2.311 . . . . 0.0 112.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.43 168.14 14.88 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.831 2.354 . . . . 0.0 112.167 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -137.36 125.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.77 0.319 . . . . 0.0 111.347 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.1 mp0 -94.67 141.28 28.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 84' ' ' VAL . 22.7 m-85 -129.49 156.82 43.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.24 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.39 165.16 33.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.067 0.46 . . . . 0.0 111.883 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 p -136.95 -171.37 2.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.84 5.22 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.38 153.76 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.695 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.99 -31.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.19 -50.16 36.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.59 -33.17 73.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.413 . . . . 0.0 110.061 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.4 tp -64.2 -56.23 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.307 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.44 -27.57 68.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.318 -179.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -72.86 -58.08 3.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -68.48 -48.09 65.36 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -67.78 -30.57 70.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.5 tm0? -69.41 -36.39 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -66.22 -50.08 65.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.347 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.408 HG22 HG11 ' A' ' 71' ' ' VAL . 62.6 mt -54.12 -35.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -77.01 -27.93 54.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.721 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 113' ' ' SER . 22.2 mt-10 -57.91 -23.82 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.533 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 117' ' ' ILE . 3.6 mp -93.84 -40.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.671 0.272 . . . . 0.0 111.645 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.5 p -94.18 -65.14 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.3 t-105 -55.04 -24.2 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -127.65 131.96 49.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.91 99.65 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -99.03 157.27 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 t -151.65 -24.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.875 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -102.55 167.8 9.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.22 118.57 33.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -140.65 4.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -73.24 -36.6 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HD2' ' NE2' ' A' ' 15' ' ' GLN . 9.7 ptpp? -161.72 140.48 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 35' ' ' ILE . 18.4 mm-40 -80.61 123.02 27.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.587 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.438 ' NE2' ' HD2' ' A' ' 13' ' ' LYS . 40.8 mt-30 -144.35 133.8 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.349 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.37 -125.73 1.1 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.714 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -137.5 148.12 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.049 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -148.54 170.44 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -116.05 138.5 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.0 mtp -131.8 139.24 48.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -58.32 120.93 9.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.539 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.8 105.58 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -81.67 8.68 9.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.374 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.35 -43.41 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.029 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.6 1.33 31.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.81 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.432 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.3 mp0 45.13 60.77 2.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.884 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -170.86 -178.37 2.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.748 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -104.54 142.11 35.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.4 p -134.13 165.0 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.877 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -93.31 124.06 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -121.72 145.68 47.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 78.4 t80 -91.57 99.23 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -93.53 160.16 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.674 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.26 114.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.386 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 14' ' ' GLN . 95.3 mt -88.38 108.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.343 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.36 124.85 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.23 -84.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -145.04 6.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.422 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 66.0 mttm -116.11 145.85 42.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.221 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 33' ' ' CYS . 15.4 tp -107.57 116.3 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -105.82 118.13 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 111.212 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -104.29 130.73 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 95.0 p -95.66 177.18 5.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.255 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.02 165.18 24.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -53.46 149.41 7.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.6 pt -110.65 2.3 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.334 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.0 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.2 19.62 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.7 p -56.83 119.89 6.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.7 mmm -101.58 15.2 29.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 136.91 57.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.4 -66.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -114.07 17.13 17.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.438 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 50.2 m-20 56.12 60.7 8.19 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.899 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 97.2 Cg_endo -88.28 117.04 0.99 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.782 2.321 . . . . 0.0 112.395 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp 58.23 98.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.79 -67.15 1.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.2 t 60.94 176.58 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.382 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -108.49 -75.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.8 p -63.92 105.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 4.2 mmp_? -93.25 -21.32 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.718 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.14 157.53 25.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.96 140.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 87' ' ' LEU . 8.9 tp -101.85 99.33 9.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.873 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.0 m-20 -51.52 -29.88 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 38' ' ' ALA . 96.6 mt 55.39 -170.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.474 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 63.93 -2.86 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 66' ' ' LEU . 12.8 t -138.78 15.12 2.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.259 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.39 170.99 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.773 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 92.0 m-20 -134.72 117.14 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.679 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.47 143.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.16 0.505 . . . . 0.0 111.044 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -139.04 120.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.865 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -68.67 104.6 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.14 121.09 75.47 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.685 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.4 151.46 22.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.005 2.47 . . . . 0.0 112.518 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 54.15 21.72 3.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.8 -153.7 19.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.354 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 39.2 ttpt -139.31 -44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -134.42 104.38 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 57.51 12.94 1.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.326 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -119.51 163.75 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.6 m -122.37 -27.22 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 107' ' ' LEU . 10.2 m-85 -121.64 99.29 6.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.1 t -131.16 146.35 33.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 111.813 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.4 m-85 -125.16 124.42 41.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.479 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 98' ' ' GLU . 74.0 mt -99.44 138.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 111.771 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 64' ' ' LEU . 99.0 mt -102.41 135.31 44.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.442 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.5 mt-10 -123.3 104.14 35.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.449 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.6 Cg_endo -59.28 156.23 36.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.501 2.134 . . . . 0.0 112.514 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 49.0 mtpt -125.69 1.9 7.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.429 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 53.1 mt-30 -55.71 -57.21 12.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.2 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.54 34.9 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.233 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -71.02 158.5 88.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.562 0.22 . . . . 0.0 110.696 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.49 155.33 16.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.241 . . . . 0.0 112.73 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.41 167.51 19.19 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.679 2.253 . . . . 0.0 112.219 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 t -138.87 121.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.296 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -92.1 145.57 24.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.4 m-85 -132.42 160.62 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.528 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.96 165.12 35.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.758 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -138.02 -179.34 5.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.51 -14.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -142.86 172.6 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 p -78.22 -28.53 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.57 -49.51 58.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.96 -24.5 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.101 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.9 tp -70.23 -56.99 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.012 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.21 -27.51 66.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.475 -179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.38 -57.85 3.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.915 0.388 . . . . 0.0 111.795 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -70.49 -45.46 65.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.528 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.4 m-85 -70.45 -30.96 67.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 23.0 tm0? -69.93 -37.83 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -68.2 -42.11 80.38 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.11 -33.21 46.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 78.1 mtt180 -76.18 -33.91 59.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.841 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.29 -18.61 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.13 -36.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.521 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.0 p -98.08 -61.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.8 t-105 -57.45 -25.0 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -110.22 137.87 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.8 mt -135.24 108.82 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.3 151.96 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 74.2 p -88.07 135.06 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.894 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -86.0 117.91 25.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -135.1 138.7 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -74.77 153.69 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -135.21 121.2 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -78.27 134.63 37.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -95.35 116.61 29.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 9.2 tt0 -147.27 142.35 27.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.55 -130.01 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.367 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.61 162.13 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.36 155.58 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.59 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -108.9 133.7 52.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.0 111.27 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.9 mtp -127.23 149.66 49.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -64.45 125.34 24.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.506 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -101.97 105.45 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.065 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 t -81.3 8.58 8.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.567 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.3 mt -103.18 -50.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.983 0.42 . . . . 0.0 110.109 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.88 3.29 47.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.0 mp0 44.62 62.16 2.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.48 -174.11 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.911 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -103.34 136.84 42.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 HG22 ' HG3' ' A' ' 48' ' ' GLN . 42.2 p -127.05 166.29 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.873 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -89.88 128.47 36.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -126.94 132.72 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -86.85 95.81 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -86.84 159.24 19.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 112.083 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.15 115.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.065 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.9 mt -88.11 112.73 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.075 0.464 . . . . 0.0 111.598 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.62 124.06 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.697 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 62.99 -84.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -141.02 -5.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.838 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 91.8 mttt -107.46 159.82 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.189 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 33' ' ' CYS . 22.9 tp -108.19 117.65 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -104.84 108.97 20.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -101.1 137.86 38.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HB2' HD13 ' A' ' 59' ' ' LEU . 48.4 t -95.13 166.99 11.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 3.9 p30 -64.35 165.26 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -47.95 133.29 14.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG13 ' HG2' ' A' ' 47' ' ' GLU . 34.5 pt -80.57 -23.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.407 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 46' ' ' ILE . 6.0 pt-20 -131.55 -31.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.074 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' HG3' HG22 ' A' ' 29' ' ' THR . 29.3 mm-40 -89.06 33.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -48.48 116.27 1.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.463 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.5 mtm -94.03 -2.28 53.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.89 123.62 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.419 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 54' ' ' ASN . 1.9 pm0 -98.83 152.99 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.261 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 52' ' ' GLU . 18.9 t70 72.44 -30.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.208 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 52' ' ' GLU . 82.3 m-20 -133.58 66.07 72.93 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.73 0.3 . . . . 0.0 110.543 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 11.9 Cg_exo -71.05 3.92 3.08 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.865 2.377 . . . . 0.0 112.472 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 tp -58.3 -43.59 88.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.15 159.87 7.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.628 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -148.09 -173.18 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.797 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -97.52 178.21 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.6 p 40.48 86.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.782 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 31.0 tpt180 -93.71 -27.69 16.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.17 153.45 19.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.33 142.46 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -116.38 100.28 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.335 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 m-20 -56.51 98.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 86.6 mt -76.18 23.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.251 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 65' ' ' ASP . 75.6 m-20 -113.14 -3.36 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.609 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.6 p -143.0 56.11 1.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -151.01 171.21 17.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.593 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 23.6 m120 -136.13 129.36 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.159 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.502 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.8 t -96.14 130.17 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 0.0 111.143 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.51 132.01 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 1.4 tmmt? -80.97 108.67 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 121.17 67.0 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.538 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.81 166.09 19.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.782 2.321 . . . . 0.0 112.797 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 55.65 21.02 4.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.14 -143.72 36.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.298 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HE3' HD11 ' A' ' 86' ' ' ILE . 15.6 tppt? -146.93 -58.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -103.16 -66.87 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -139.58 12.6 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.297 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.21 -173.44 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.208 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 t -124.42 -31.53 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.415 ' HB2' HD13 ' A' ' 107' ' ' LEU . 17.8 m-85 -123.56 106.06 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.951 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 78' ' ' LYS . 56.1 t -129.81 144.1 39.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 111.849 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -125.91 127.49 46.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.531 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG12 ' HG3' ' A' ' 98' ' ' GLU . 77.4 mt -100.0 144.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.165 0.507 . . . . 0.0 112.061 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 71' ' ' VAL . 79.0 mt -107.63 129.96 54.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.335 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.0 mt-10 -114.78 108.85 48.31 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.8 Cg_endo -58.67 153.4 49.61 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.617 2.211 . . . . 0.0 112.777 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -123.55 2.34 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.523 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 31.7 mt-30 -58.82 -56.09 26.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -170.54 -76.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.23 36.59 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -73.16 160.06 83.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.535 0.207 . . . . 0.0 110.782 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.48 154.88 14.02 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.718 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.65 167.83 16.55 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.78 2.32 . . . . 0.0 112.265 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.2 t -137.48 133.15 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.554 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.26 140.55 33.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -128.57 158.69 37.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.326 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.13 156.2 28.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.918 0.39 . . . . 0.0 111.97 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.2 p -124.0 -168.05 1.73 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.728 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -123.14 -3.62 8.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -143.18 171.83 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -45.13 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.224 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.38 -46.21 81.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.39 -35.68 76.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.503 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.6 tp -63.39 -56.01 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.976 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 12.3 m-85 -63.88 -27.05 68.89 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.579 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -75.19 -57.88 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -67.96 -40.25 83.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 15.8 m-85 -75.3 -30.39 60.35 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 12.0 tt0 -66.92 -40.48 87.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 86.6 p -65.84 -48.32 72.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.74 -35.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 75.9 mtt180 -76.59 -30.53 57.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.477 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 28.6 mt-10 -60.83 -20.55 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.415 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.1 mt -108.64 -31.47 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -98.88 -62.06 1.29 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 111.444 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.0 t-105 -54.98 -27.62 45.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.249 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -145.9 143.11 29.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 121' ' ' ILE . 4.4 mp -120.94 101.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -137.31 20.32 2.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.1 t -67.22 -21.36 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.021 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HA ' ' NE2' ' A' ' 12' ' ' HIS . 55.5 mtpt 61.63 107.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -129.31 -46.27 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.01 -52.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' NE2' ' HA ' ' A' ' 9' ' ' LYS . 77.4 m-70 60.27 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.128 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.05 113.38 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.543 ' HB2' HD12 ' A' ' 35' ' ' ILE . 21.0 mm-40 -73.63 101.48 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -127.69 132.43 49.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 -130.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.38 147.59 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 6.7 mt -146.66 168.89 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.54 115.08 16.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.746 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.1 mtp -111.06 145.16 39.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 45.1 t-105 -64.84 109.62 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.656 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.24 100.76 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t -73.34 0.54 11.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.922 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.8 mm -88.25 -61.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.66 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.09 -5.56 47.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.606 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 7.9 mp0 57.83 72.75 0.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.556 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -170.04 171.17 7.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -94.6 112.31 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -99.9 139.92 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -89.68 121.67 32.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.547 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -135.48 139.88 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.383 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -76.29 100.24 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.232 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' HD11 ' A' ' 40' ' ' LEU . 52.3 m -84.46 159.8 20.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.9 116.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 14' ' ' GLN . 90.7 mt -88.28 115.37 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.265 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.32 117.46 34.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.621 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.41 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 117' ' ' ILE . . . -138.89 -23.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.624 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 56.4 mttp -90.01 167.29 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.493 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 33' ' ' CYS . 46.1 tp -116.77 146.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.227 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' H ' HD12 ' A' ' 40' ' ' LEU . 62.5 p -130.94 115.11 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -101.61 133.31 46.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.725 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -92.05 163.58 13.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -61.71 165.03 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.612 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.27 130.91 27.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 pt -93.86 8.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 48' ' ' GLN . 8.1 pt-20 -157.74 -36.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 84.9 mm-40 -101.17 40.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.735 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -49.96 128.52 18.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.1 mtp -94.18 17.36 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.28 108.42 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.205 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -79.49 -67.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.34 11.72 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.386 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 28.1 m-80 57.97 66.75 2.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 4.7 Cg_exo -77.73 19.4 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.966 2.444 . . . . 0.0 112.266 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp 60.48 98.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.21 143.83 18.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.649 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.3 m -98.17 -178.75 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.816 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -70.62 -70.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.69 99.11 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -82.14 -22.88 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.27 165.86 34.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 73.7 mt -132.97 141.46 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -117.26 93.38 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.195 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.505 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 1.4 p-10 -57.75 104.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -82.62 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -109.67 16.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.9 t -165.26 24.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HD22 ' A' ' 87' ' ' LEU . 9.8 m-85 -114.92 171.46 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.941 0.4 . . . . 0.0 110.787 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.6 m-20 -130.96 126.64 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.174 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HB ' ' HG2' ' A' ' 115' ' ' ARG . 25.1 t -95.93 137.12 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -139.23 123.59 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.882 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -75.58 104.87 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.724 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -79.45 120.81 81.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_endo -81.68 -64.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.101 2.534 . . . . 0.0 113.026 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -52.23 -21.49 3.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.362 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.77 -152.31 17.79 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 14.3 tppt? -151.11 -70.9 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 0.0 111.322 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -121.07 90.21 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.53 13.28 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -104.57 163.74 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.167 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.5 p -108.44 -41.92 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -110.28 109.7 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 78' ' ' LYS . 45.8 t -133.35 148.94 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.588 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 15.4 m-85 -130.35 121.72 26.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.0 mt -99.93 141.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.127 0.489 . . . . 0.0 112.285 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 69' ' ' TYR . 13.2 mt -104.41 133.49 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.0 mt-10 -121.22 109.88 34.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.8 Cg_endo -60.36 157.67 34.78 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.424 2.082 . . . . 0.0 112.495 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 48.9 mtpt -126.31 -1.16 6.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 50.2 mt-30 -56.63 -59.06 5.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -168.62 -75.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.25 35.27 2.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.282 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.465 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -69.98 160.25 81.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.483 0.182 . . . . 0.0 110.715 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.5 153.95 15.85 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.751 2.301 . . . . 0.0 112.863 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.28 168.12 15.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.73 123.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.245 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 1.2 mp0 -93.64 144.99 24.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.41 159.73 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.29 142.42 15.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.866 0.365 . . . . 0.0 111.76 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -115.23 -169.57 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -114.2 -25.52 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -128.04 169.16 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.3 -32.39 16.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.73 -53.14 36.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.587 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.12 -27.98 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.174 0.511 . . . . 0.0 110.054 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.506 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -67.71 -56.49 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.43 -27.73 68.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.612 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.82 -58.18 3.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.895 0.378 . . . . 0.0 111.836 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -67.76 -49.07 64.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -67.52 -34.45 77.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.4 tm0? -67.0 -33.14 74.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -70.18 -46.33 64.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.918 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.86 -33.72 42.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HG2' ' HB ' ' A' ' 71' ' ' VAL . 86.4 mtt180 -76.03 -35.65 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.883 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.26 -18.11 24.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.005 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 38' ' ' ALA . 73.5 mt -101.07 -21.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.959 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.2 p -110.23 -58.17 2.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.409 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 6.6 m95 -56.28 -30.07 61.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.745 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -121.03 139.77 52.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 122' ' ' ASP . 1.1 mt -119.76 -145.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' H ' HG22 ' A' ' 121' ' ' ILE . 10.0 m-20 -126.15 113.99 17.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.3 t -105.85 146.08 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.946 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -94.2 127.27 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -85.25 175.17 9.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -98.3 127.18 44.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.78 -75.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -150.34 129.66 12.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -95.55 110.19 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 3.8 pt20 -145.1 148.14 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.61 -122.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.587 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.18 147.41 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.386 . . . . 0.0 111.133 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -151.25 165.49 33.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -116.37 123.85 48.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.32 146.99 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -60.05 129.42 41.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.303 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -112.06 100.44 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.49 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 p -72.03 -8.81 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -59.86 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -104.47 0.49 28.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.282 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.24 69.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -171.4 178.72 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.696 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -100.16 141.55 32.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 111.08 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -132.43 166.98 20.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -97.05 120.96 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.215 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -121.1 159.18 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.259 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -107.44 99.72 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.647 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 40' ' ' LEU . 74.2 m -90.85 167.04 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.277 0.56 . . . . 0.0 111.889 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -168.09 118.06 0.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.32 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.37 122.72 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.08 121.1 39.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 64.34 -81.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.253 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -149.8 25.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.443 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.3 mttt -133.76 149.2 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.112 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 33' ' ' CYS . 42.8 tp -107.63 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' HB3' HG12 ' A' ' 63' ' ' ILE . 22.3 p -108.31 129.02 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 111.223 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -113.39 133.69 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.568 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -96.12 177.11 5.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.959 0.409 . . . . 0.0 111.361 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.543 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.0 p-10 -73.11 165.46 24.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.78 139.62 9.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.823 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -92.54 -25.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 11.0 pt-20 -133.17 -31.07 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 77.2 mt-30 -89.97 31.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.8 p -53.13 126.62 21.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.453 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.3 mmt -115.85 95.87 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 46.3 mt-10 -140.53 128.33 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -67.19 -64.77 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.64 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -117.57 16.93 14.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.651 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 50.0 t-20 56.58 68.88 1.97 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.43 -58.17 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.726 2.284 . . . . 0.0 112.183 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.0 tp -146.29 148.19 32.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.54 57.24 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p -65.83 157.95 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.5 -71.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.0 p -60.45 94.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 32.0 mmt180 -86.38 5.45 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.621 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.76 160.47 9.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 41' ' ' SER . 80.3 mt -142.64 125.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.8 mm? -93.72 95.34 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.139 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -63.39 98.14 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 64' ' ' LEU . 3.7 mm? -50.61 -39.54 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.871 0.367 . . . . 0.0 111.246 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -59.19 -1.14 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.199 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' ' 66' ' ' LEU . 17.0 p -145.27 35.55 1.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -147.46 171.09 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 111.078 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 22.8 m120 -132.17 168.99 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.842 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.38 137.19 57.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.17 121.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.872 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 6.0 tmmm? -75.46 104.85 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.707 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -72.63 120.94 83.44 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.959 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' H ' ' A' ' 76' ' ' GLN . 71.4 Cg_exo -48.02 -94.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.215 2.61 . . . . 0.0 113.798 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 75' ' ' PRO . 61.5 tt0 -93.29 64.96 3.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 111.176 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 47.92 -154.85 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.816 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 38.3 ttpt -146.44 -64.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.01 -76.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -139.69 9.65 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.427 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -94.04 176.45 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.265 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.2 p -123.65 -21.05 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.299 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.59 103.3 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.411 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 53.7 t -128.71 155.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.5 m-85 -135.97 120.0 17.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.142 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 63.2 mt -99.85 139.72 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.141 0.496 . . . . 0.0 112.321 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 41.2 mt -98.22 134.45 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.055 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.2 mt-10 -119.47 109.89 37.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.008 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.11 158.68 20.88 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.73 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -125.68 -0.2 7.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.475 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.54 -62.17 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -161.03 -89.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.34 21.91 6.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.063 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.34 158.54 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.27 154.1 14.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.713 2.276 . . . . 0.0 112.871 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.05 168.13 13.77 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.803 2.336 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 64' ' ' LEU . 39.5 t -133.22 130.76 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.025 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -98.96 141.39 31.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.958 0.408 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' O ' HG13 ' A' ' 84' ' ' VAL . 33.9 m-85 -129.34 159.92 34.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.374 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.2 161.28 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 0.0 111.82 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -133.53 -174.04 3.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.728 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -119.01 0.02 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -144.97 161.65 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -78.43 -31.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.25 -51.78 28.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.663 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.92 -29.4 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.501 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.1 tp -63.55 -56.66 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -64.29 -40.47 96.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.552 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.8 -58.53 7.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.47 -49.39 60.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.501 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.7 m-85 -68.15 -30.53 69.67 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.31 -33.82 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.8 t -68.99 -44.4 72.92 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.155 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 66' ' ' LEU . 59.2 mt -59.72 -36.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 71.7 mtt180 -76.66 -28.31 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.371 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.569 ' HG2' HG13 ' A' ' 121' ' ' ILE . 17.6 mt-10 -56.63 -18.29 11.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.932 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -108.95 -24.24 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.986 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.4 p -123.65 26.66 7.66 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.507 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 66.6 t-105 -140.13 -9.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.589 0.233 . . . . 0.0 111.247 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? 61.86 115.25 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.569 HG13 ' HG2' ' A' ' 116' ' ' GLU . 11.8 mm -111.64 96.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.997 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.09 135.81 41.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.7 p -134.25 132.26 39.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -90.84 123.05 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -134.94 -22.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.7 127.67 33.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -97.21 142.96 28.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.52 143.39 57.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -102.28 108.06 19.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -138.06 147.23 43.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.25 -130.5 1.98 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -124.36 153.29 42.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 mt -150.41 174.42 12.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -131.02 139.51 49.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mtp -132.15 151.73 51.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.609 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.0 t-105 -73.05 106.92 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.501 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -79.48 100.89 7.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -73.72 2.23 8.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.961 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.1 -61.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.529 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -94.68 -5.08 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.157 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.609 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 mp0 57.74 73.42 0.47 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.588 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -168.26 -175.5 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.727 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -111.7 110.59 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 146.54 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.15 121.52 31.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -126.82 139.72 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -77.44 106.62 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.33 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 34.7 m -91.98 157.56 16.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 111.682 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.41 114.64 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.328 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.65 116.98 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.6 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.99 120.28 40.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.723 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.65 -81.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -145.84 5.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.547 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -117.17 162.03 18.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.308 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 19.5 tp -125.79 117.28 23.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 p -104.3 117.86 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -100.31 126.02 46.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -87.69 174.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.027 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -62.21 163.36 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.98 132.65 54.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 pt -87.07 6.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -163.28 -33.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -88.5 31.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -54.14 -47.48 71.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.0 mmm 60.75 12.62 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.257 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -138.03 118.39 13.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.942 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -126.4 -34.31 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' HD3' ' A' ' 55' ' ' PRO . 9.6 m-20 -85.96 -34.35 20.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.186 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.551 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 7.7 t30 -138.82 58.1 12.76 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 2.6 Cg_endo -83.98 127.49 4.13 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.149 2.566 . . . . 0.0 112.11 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB3' HH12 ' A' ' 61' ' ' ARG . 37.6 tp -61.04 -57.71 11.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.46 -137.95 13.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t 61.88 170.95 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -108.46 -72.85 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 p -60.75 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.455 HH12 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mmm180 -87.03 -11.86 49.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 169.93 161.75 20.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -135.2 142.75 39.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.218 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 87' ' ' LEU . 8.0 tp -106.91 104.4 14.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.2 m-20 -49.91 -32.72 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 117' ' ' ILE . 86.0 mt 55.72 14.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -107.04 -12.48 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.1 p -139.26 67.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.26 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -153.89 171.12 19.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.8 m-20 -136.95 129.35 29.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.9 t -95.88 125.89 48.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 111.184 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -132.19 123.72 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.017 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -72.44 104.83 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.4 120.91 73.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.0 Cg_exo -80.05 154.14 22.33 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.016 2.478 . . . . 0.0 112.652 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 54.36 19.99 2.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.63 -146.09 44.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.291 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -154.66 -36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.767 0.318 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -135.69 94.79 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 56.79 17.98 3.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -120.35 168.11 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.6 p -122.07 -38.68 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.331 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -110.62 98.89 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.048 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 99' ' ' PHE . 47.1 t -130.01 145.39 35.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.908 0.385 . . . . 0.0 111.848 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.7 m-85 -126.17 125.4 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.552 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' ' 98' ' ' GLU . 78.5 mt -99.76 140.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.267 0.556 . . . . 0.0 112.232 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD21 ' A' ' 64' ' ' LEU . 85.8 mt -104.42 128.76 52.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.321 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.1 mt-10 -114.47 112.4 46.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.727 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 28.9 Cg_endo -59.22 128.97 29.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.506 2.137 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -81.45 9.37 7.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.67 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.8 mm100 -65.86 -74.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.711 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -164.85 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.775 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -121.2 17.46 9.09 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.813 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -54.01 162.21 1.55 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.025 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 72.7 Cg_endo -73.78 147.52 39.78 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.992 2.461 . . . . 0.0 113.116 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -87.39 168.25 7.46 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.998 2.466 . . . . 0.0 112.082 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.24 124.34 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.97 145.85 24.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.29 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 84' ' ' VAL . 31.9 m-85 -132.97 156.68 46.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.234 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.45 166.78 32.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 111.776 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.3 p -140.38 -174.31 3.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.846 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.47 6.66 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -146.23 161.44 40.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -41.26 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.54 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.52 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.8 tp -63.63 -56.47 15.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.54 -39.65 91.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.409 -179.091 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.81 -57.92 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.987 0.422 . . . . 0.0 111.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -68.46 -49.1 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 12.3 m-85 -67.62 -30.75 70.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.41 -36.28 76.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.997 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.21 -34.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 13.5 mtt180 -76.39 -30.98 57.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.942 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 113' ' ' SER . 25.3 mt-10 -57.55 -18.75 21.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.033 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 66' ' ' LEU . 61.5 mt -109.05 -29.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.7 p -115.19 20.13 15.15 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.5 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 76.5 t-105 -148.66 2.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -79.72 20.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.72 87.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.12 116.29 19.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.9 m -74.36 116.63 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.863 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.64 18.86 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.826 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -122.72 -27.42 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -89.42 -25.76 21.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 m80 59.8 99.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -146.38 108.2 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -99.0 119.09 37.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 29.3 tt0 -135.02 142.49 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.03 -136.58 3.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -120.1 160.81 22.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -162.92 176.01 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.709 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -128.08 145.57 50.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE3' ' HB2' ' A' ' 20' ' ' MET . 48.3 mtm -137.02 134.17 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -60.06 120.32 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.347 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -108.45 105.82 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.389 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 p -78.75 -0.67 31.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.05 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -34.79 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.551 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 9.4 m-20 -127.9 0.09 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.904 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 51.11 70.0 0.58 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.176 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HZ3' ' HB3' ' A' ' 25' ' ' ASP . 3.8 ptpp? -164.31 176.4 9.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.259 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -112.85 111.05 21.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.672 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 p -102.08 158.69 15.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.8 121.9 40.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -119.3 160.16 22.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 60.2 t80 -98.37 95.46 7.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 40' ' ' LEU . 94.4 m -84.79 158.9 20.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 0.0 111.884 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.64 121.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.313 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -88.29 117.2 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 111.282 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.822 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.85 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 117' ' ' ILE . . . -137.5 -18.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.738 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 54.9 mttp -95.25 173.87 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.1 tp -126.77 117.65 23.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -100.28 120.7 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -99.88 135.01 41.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 42.8 t -96.62 176.72 5.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.383 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -76.92 165.81 24.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.75 145.64 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.84 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -112.01 8.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.292 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.54 -33.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.17 30.2 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.728 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -55.92 126.35 25.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.41 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.53 -69.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 45.6 mt-10 55.48 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.21 -71.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -97.45 16.86 18.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 61.6 m-20 58.43 66.92 2.35 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.973 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.39 -164.68 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.76 2.306 . . . . 0.0 112.085 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.4 tp -77.57 112.21 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.27 86.39 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.638 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.9 t -99.5 154.17 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.24 -76.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.3 p -61.75 98.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 23.9 mmm180 -84.74 -1.97 56.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.672 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.4 166.84 18.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.56 137.45 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 ' HG ' ' A' ' 87' ' ' LEU . 18.7 tp -105.41 100.7 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.343 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -64.98 80.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 117' ' ' ILE . 72.1 mt -50.48 -20.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.548 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -66.33 -39.13 89.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 p -105.32 43.79 1.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 19.2 m-85 -146.35 168.08 21.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.548 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 84.7 m-20 -132.81 136.29 46.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.391 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.51 131.86 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 111.792 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.37 120.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HZ3' ' HZ ' ' A' ' 85' ' ' PHE . 20.2 ttmm -75.81 104.84 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 120.39 79.15 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.384 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 77' ' ' GLY . 56.6 Cg_endo -84.89 -42.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.932 2.421 . . . . 0.0 113.225 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.59 25.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.894 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 56.65 -151.58 24.25 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.663 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 15.0 tppt? -151.37 -48.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -152.49 99.14 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.676 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 59.39 12.27 2.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.0 167.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -118.32 -34.67 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.231 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -115.96 106.41 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 100' ' ' ALA . 41.9 t -136.45 146.71 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 111.717 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -123.08 155.81 36.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.506 ' HB ' HG23 ' A' ' 72' ' ' VAL . 52.8 mt -134.5 133.48 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.671 ' HG ' HD21 ' A' ' 64' ' ' LEU . 3.9 mm? -93.66 127.63 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.526 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.3 mt-10 -111.29 110.38 56.04 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.521 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.29 126.05 16.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.442 2.095 . . . . 0.0 112.541 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -84.3 12.47 6.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.0 mm100 -61.34 -71.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.85 27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.116 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.92 12.51 23.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.016 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.591 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -51.13 163.68 0.51 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 29.5 Cg_endo -60.68 142.25 97.3 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.012 2.475 . . . . 0.0 112.951 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.74 168.39 7.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.093 2.529 . . . . 0.0 112.333 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.91 133.64 65.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.663 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 2.0 mp0 -101.25 142.99 31.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.12 0.486 . . . . 0.0 111.738 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -132.29 156.7 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.151 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.18 154.59 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 0.0 111.663 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.0 p -119.77 -169.92 1.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -114.28 -21.08 10.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -130.63 169.31 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.26 -30.47 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.06 -54.04 14.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.16 -25.09 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.498 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.6 tp -68.54 -56.5 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.81 -27.6 67.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.526 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -70.77 -57.8 4.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.937 0.398 . . . . 0.0 111.643 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -69.84 -47.9 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 32.0 m-85 -67.39 -31.0 70.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.8 tm0? -69.88 -35.65 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 35.7 t -66.32 -48.3 70.76 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.927 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.611 HG23 HD22 ' A' ' 66' ' ' LEU . 48.8 mt -54.56 -34.23 28.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 83.6 mtt180 -76.65 -29.38 56.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.47 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 113' ' ' SER . 27.4 mt-10 -59.28 -20.17 52.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.509 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.8 mp -91.71 -44.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -100.64 -60.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.596 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 76.0 t-105 -55.3 -28.3 52.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -106.06 146.17 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.56 102.63 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.47 131.76 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 62.5 m 61.17 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.21 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.036 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -63.77 137.4 58.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.72 12.73 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 59.9 100.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -140.35 111.61 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -116.18 132.32 56.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -97.78 113.67 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -134.22 139.35 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.714 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.65 0.75 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -139.48 148.35 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.406 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 mt -149.02 178.83 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.674 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.98 143.32 50.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.026 0.441 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mtp -130.1 154.31 47.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.791 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -78.66 132.12 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -117.99 101.59 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.355 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 p -73.79 -5.89 43.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.0 -51.45 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.21 -0.33 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.215 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 55.09 69.76 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.66 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -167.74 176.06 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.735 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -105.46 131.05 53.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 59.5 p -113.49 144.06 43.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -88.44 121.68 31.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.754 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.7 134.77 47.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -74.04 104.27 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.322 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.53 ' HB3' HD11 ' A' ' 40' ' ' LEU . 60.0 m -84.82 157.43 20.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.142 0.496 . . . . 0.0 111.62 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.36 114.58 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.285 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.5 107.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.514 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.19 120.14 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.713 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 63.71 -84.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.79 -10.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 94.9 mttt -106.26 146.54 30.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.96 0.41 . . . . 0.0 111.579 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.6 tp -107.64 116.83 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.186 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 m -109.25 116.55 32.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 111.317 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -98.92 138.65 35.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -89.33 173.48 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.14 165.8 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 3.8 m-20 -46.1 141.9 3.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 pt -108.74 3.76 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -160.96 -35.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -93.25 28.65 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.7 p -55.34 119.3 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 mmt -104.19 96.36 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.8 mt-10 -140.02 140.31 36.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -86.31 -46.8 9.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -120.94 10.75 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.262 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 44.0 m-20 59.33 64.64 2.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 12.6 Cg_exo -70.67 -164.7 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.73 2.287 . . . . 0.0 112.037 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.6 tp -64.83 126.37 27.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.719 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.93 -41.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.753 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 57.94 -169.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.2 tp -96.64 -73.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.74 111.79 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -92.49 -30.89 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.96 163.93 37.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -133.68 143.76 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 87' ' ' LEU . 7.8 tp -112.91 105.6 13.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.074 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.4 p30 -47.1 -39.62 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.7 mt 61.54 5.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -101.59 -12.2 18.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.922 0.392 . . . . 0.0 110.47 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 89' ' ' PRO . 80.4 p -138.92 69.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -155.8 170.38 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.048 0.451 . . . . 0.0 110.965 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 20.4 m120 -137.25 129.83 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.84 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -95.89 126.11 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -133.4 120.93 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.888 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.82 104.79 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.44 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.45 121.07 73.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 4.2 Cg_exo -80.68 157.2 21.5 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.986 2.457 . . . . 0.0 112.465 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 55.33 18.03 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.38 -148.33 44.16 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.247 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -153.62 -34.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.726 0.298 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -141.17 97.02 3.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.957 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 56.54 18.98 3.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 67.6 mmtt -123.09 167.84 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -121.02 -38.57 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -111.45 100.99 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.044 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 99' ' ' PHE . 57.3 t -131.57 144.47 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.799 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.515 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.1 m-85 -123.76 127.79 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.596 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.581 HG12 ' HG3' ' A' ' 98' ' ' GLU . 80.2 mt -100.84 138.81 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.206 0.527 . . . . 0.0 112.141 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 64' ' ' LEU . 77.9 mt -104.52 126.56 51.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.401 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.4 mt-10 -112.21 105.83 56.19 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.55 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 26.4 Cg_endo -60.38 140.18 90.38 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.593 2.195 . . . . 0.0 112.745 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -103.59 8.96 37.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.32 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 92' ' ' GLN . 53.2 tt0 -65.36 -57.4 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 10.6 pt20 -177.18 67.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.276 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.38 9.83 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.81 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 2.0 m-20 -45.73 161.16 0.26 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.448 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 30.0 Cg_endo -61.06 146.56 97.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.001 2.468 . . . . 0.0 112.772 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -85.75 168.16 9.68 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.793 2.328 . . . . 0.0 112.282 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 t -134.4 124.91 46.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.581 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -93.21 147.82 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.3 m-85 -134.49 155.31 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -150.27 166.44 29.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 111.849 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 p -139.57 -169.76 2.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.748 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.32 0.7 6.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -144.21 166.25 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.36 -40.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.277 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.92 -47.14 72.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.08 -33.26 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.092 0.473 . . . . 0.0 110.003 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.76 -56.19 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.367 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 3.4 m-85 -63.96 -27.77 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.822 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -76.96 -58.07 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -68.05 -40.4 82.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.9 m-85 -75.23 -32.32 61.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.15 -29.11 65.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.106 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.1 m -74.0 -51.19 16.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.307 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.9 -40.12 34.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 45.6 ttt180 -68.97 -40.95 78.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.759 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 -17.8 14.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 mt -106.01 -21.36 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.877 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -111.27 7.27 21.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.007 0.432 . . . . 0.0 111.189 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 5.7 m95 -133.81 33.68 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.756 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 120' ' ' LYS . 7.9 mtpm? -80.58 20.64 0.7 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 121' ' ' ILE . 4.0 mp -91.28 91.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.785 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.51 127.92 34.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.4 p -76.95 130.88 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.004 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -90.03 126.76 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -139.18 151.02 46.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.31 110.33 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -135.5 -64.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 59.82 101.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.651 ' HB2' HD12 ' A' ' 35' ' ' ILE . 14.9 mm-40 -66.51 100.92 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 40.7 mt-30 -125.55 131.81 52.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.9 -133.37 2.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.06 135.91 46.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.81 165.1 27.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -112.49 137.82 50.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.5 mtp -131.38 146.73 52.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.704 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -65.93 125.93 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.501 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.59 94.44 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.3 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 t -70.65 -6.77 39.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.213 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.0 -41.29 92.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.426 0.632 . . . . 0.0 109.537 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.94 -0.01 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.085 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 52.57 74.03 0.31 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.815 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -169.71 175.92 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.882 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -102.8 125.81 49.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.67 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.3 p -119.46 164.59 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -95.61 130.72 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.71 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -129.29 151.4 49.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 78.8 t80 -95.68 95.88 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.807 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.9 m -87.14 161.2 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.246 0.546 . . . . 0.0 111.654 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.86 117.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.305 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 14' ' ' GLN . 73.6 mt -88.41 109.65 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 111.386 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.02 127.04 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.65 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -139.39 -5.14 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.641 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.3 mttm -107.61 152.8 23.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.8 tp -107.57 116.33 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 117.53 34.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.796 0.332 . . . . 0.0 111.25 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.89 135.68 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 44.2 t -95.67 162.53 13.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.295 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.578 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -65.85 165.49 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.781 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.562 ' HB2' ' HA ' ' A' ' 49' ' ' THR . 16.0 m-20 -48.67 152.71 0.92 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -115.3 -23.3 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.483 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 10.2 pt-20 -127.29 -31.19 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.153 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 95.2 mt-30 -106.37 38.26 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 79.6 p -56.12 140.91 42.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.373 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mtt -96.17 10.64 37.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.9 mt-10 -58.67 129.24 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.82 -64.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -112.61 14.6 20.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 1.9 m-20 56.43 66.44 3.37 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.863 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.9 -58.37 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.713 2.275 . . . . 0.0 112.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -162.48 140.13 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -137.32 72.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.6 t -77.29 158.73 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 163.11 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.8 m 60.85 98.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.251 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.4 tpt180 -92.96 -29.74 15.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.488 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.91 153.3 22.44 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.179 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.6 143.63 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 111.372 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -115.71 93.0 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.175 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -55.16 98.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.507 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 64' ' ' LEU . 79.7 mt -74.14 22.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.495 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 79.0 m-20 -107.24 -13.16 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.3 p -138.97 63.03 1.52 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.594 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.9 171.51 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.1 m-20 -137.51 131.24 31.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.9 t -96.35 129.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.399 . . . . 0.0 111.404 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -134.74 120.78 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.865 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -74.99 105.05 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.17 121.21 76.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.572 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.4 158.5 29.3 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.787 2.325 . . . . 0.0 112.778 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 58.73 11.03 1.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.05 -172.94 4.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.536 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 40.6 ttmt -136.71 151.94 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.558 0.218 . . . . 0.0 110.548 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 67.98 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -143.37 17.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -104.99 174.99 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.4 p -120.46 -26.21 5.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.155 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -127.12 101.91 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.572 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.6 t -130.04 147.49 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.1 m-85 -123.81 151.28 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.989 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 69.6 mt -128.27 134.93 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.236 0.541 . . . . 0.0 112.335 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 64' ' ' LEU . 31.4 mt -97.82 126.79 43.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.492 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.1 mt-10 -113.59 110.56 49.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.514 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -56.08 149.36 53.7 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.58 2.187 . . . . 0.0 112.764 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -116.46 3.49 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.397 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 34.7 mt-30 -66.61 -64.05 0.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -159.9 -91.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.69 21.98 7.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.073 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.55 159.17 2.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.553 0.216 . . . . 0.0 110.801 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.02 153.31 16.79 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.692 2.261 . . . . 0.0 112.962 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.92 168.18 12.38 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.895 2.396 . . . . 0.0 112.242 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.08 127.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -96.28 143.65 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -130.86 162.76 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.04 155.25 27.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 111.8 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -130.35 179.3 6.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.797 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -115.57 5.58 14.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.86 155.98 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 p -77.95 -30.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.07 -51.62 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.46 -27.32 65.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.046 0.45 . . . . 0.0 109.999 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.513 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.4 -56.85 9.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.568 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.503 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.92 -27.46 66.65 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.155 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.63 -58.15 3.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.813 0.339 . . . . 0.0 111.903 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.513 ' HE2' HD12 ' A' ' 107' ' ' LEU . 36.8 m-85 -66.22 -45.88 79.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 7.5 tp60 -58.75 -38.15 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.859 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 t -66.82 -48.71 68.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.84 -34.98 20.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.532 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 41.9 ttt180 -75.73 -37.69 59.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.809 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 37.2 mt-10 -60.51 -18.14 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.205 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -21.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.194 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -102.85 -57.15 2.1 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.532 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 3.2 m95 -56.68 -34.72 67.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.709 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -131.99 145.06 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 122' ' ' ASP . 1.6 mm -99.11 -143.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.416 ' H ' HG22 ' A' ' 121' ' ' ILE . 4.7 p-10 -162.03 163.58 28.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.688 0.28 . . . . 0.0 110.741 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.3 p 50.41 -166.3 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.465 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.4 tptt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.87 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.675 0.274 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 6.5 ttpm? 59.85 100.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 60.45 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.31 170.47 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -138.31 107.4 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -138.63 147.04 42.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.658 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.5 mm100 -76.66 100.68 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.05 135.51 47.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.533 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.13 -135.32 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.725 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -128.0 136.18 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.016 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 mt -135.43 161.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -104.42 139.33 39.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.6 mtp -136.44 138.26 41.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.21 126.8 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.18 103.62 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.294 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.3 p -77.34 -2.65 36.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.438 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.61 -46.68 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.438 . . . . 0.0 110.337 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.5 -0.19 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.052 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 54.8 72.46 0.47 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HE3' ' HG3' ' A' ' 50' ' ' MET . 25.3 pttm -171.46 176.96 3.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.848 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -105.52 131.88 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -125.26 168.21 13.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -95.63 124.01 39.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.697 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -120.36 144.89 47.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.74 96.27 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' HD11 ' A' ' 40' ' ' LEU . 10.2 p -106.85 167.1 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 0.0 111.832 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.39 131.44 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.1 mt -88.66 109.42 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 111.403 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 119.6 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.69 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.18 -83.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -138.93 -14.73 1.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.805 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.6 mttp -97.17 148.75 22.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.042 0.448 . . . . 0.0 111.834 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 33' ' ' CYS . 38.0 tp -109.98 117.16 33.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.758 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -110.27 122.18 47.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.0 p90 -108.05 143.8 36.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -97.8 175.8 6.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.41 165.38 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB2' HG22 ' A' ' 49' ' ' THR . 23.1 m-20 -51.19 147.61 5.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 pt -113.33 1.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.51 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 11.0 pt-20 -162.26 -34.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 54.2 mt-30 -98.9 34.27 2.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 51' ' ' GLU . 67.4 p -55.74 -53.25 58.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HG3' ' HE3' ' A' ' 27' ' ' LYS . 26.0 mmt 56.26 30.87 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 44.5 mt-10 -54.68 136.96 45.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.83 -63.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -114.98 16.15 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.53 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 43.7 t30 57.59 69.98 1.44 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.769 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.67 -161.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.806 2.337 . . . . 0.0 112.113 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.92 -70.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.74 77.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 m -99.7 178.93 4.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 151.89 45.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t 58.79 92.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 4.6 mmp_? -92.18 -5.3 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.673 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.0 157.69 17.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -141.16 125.47 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.639 0.257 . . . . 0.0 111.373 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -87.67 109.08 19.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.2 m-20 -49.3 -26.79 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 38' ' ' ALA . 76.6 mt 56.14 14.2 1.42 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -110.29 -12.89 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.1 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.3 p -142.23 64.95 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -151.08 171.33 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.625 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 24.9 m120 -135.65 129.25 32.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.101 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.6 t -96.35 133.11 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.218 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -138.46 120.61 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.05 104.66 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.793 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -70.87 120.53 79.79 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 11.2 Cg_exo -71.2 -66.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.936 2.424 . . . . 0.0 112.924 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.63 30.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.889 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.49 -146.07 26.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.138 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' ' 86' ' ' ILE . 15.4 mtpp -155.87 -44.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.677 0.275 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -140.2 98.5 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.323 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 53.86 18.74 1.69 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.422 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 70.4 mmtt -120.98 160.69 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.223 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -112.3 -48.22 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.208 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -101.32 100.73 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.956 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.8 t -126.09 154.88 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.478 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 28.3 m-85 -136.17 129.68 32.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.241 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.587 HD11 ' HD2' ' A' ' 78' ' ' LYS . 43.6 mt -110.79 136.21 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 71' ' ' VAL . 47.2 mt -99.44 125.97 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.572 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.3 mt-10 -112.18 106.5 56.09 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.48 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.6 Cg_endo -57.09 154.54 33.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.929 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -126.82 1.4 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.547 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.452 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 10.0 tt0 -62.11 -56.88 14.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -166.37 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -134.97 29.04 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.202 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -61.91 159.68 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.58 0.229 . . . . 0.0 110.654 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 81.5 Cg_endo -86.85 143.66 7.1 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.809 2.339 . . . . 0.0 112.956 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.8 Cg_exo -70.66 167.37 25.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.818 2.345 . . . . 0.0 111.829 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.7 t -139.74 126.01 22.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.773 0.32 . . . . 0.0 111.353 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.67 143.26 26.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -130.24 161.36 31.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.635 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -159.08 163.34 36.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 111.574 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.7 p -140.93 -170.44 3.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.9 3.62 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 103' ' ' ARG . 2.7 mmp_? -145.87 151.03 37.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.008 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.92 -28.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -70.75 -53.01 17.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.15 -29.66 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.45 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -67.61 -56.74 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.766 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -66.48 -27.64 67.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.537 -179.246 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.56 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -68.54 -49.54 58.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.531 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.4 m-85 -67.04 -41.55 86.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 21.6 tp60 -61.52 -35.71 78.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 64.8 m -68.1 -43.51 78.31 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.894 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.09 -33.96 47.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -76.44 -33.38 58.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.98 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.467 ' HA ' ' HB3' ' A' ' 120' ' ' LYS . 29.7 mt-10 -57.79 -19.26 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.218 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.454 HD12 HD13 ' A' ' 66' ' ' LEU . 61.4 mt -108.83 -30.91 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.548 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.8 p -107.34 23.73 13.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.783 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 49.9 t-105 -162.65 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.652 0.263 . . . . 0.0 111.191 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 41.2 ttmt -102.53 143.4 32.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mm -116.75 99.43 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -136.18 105.4 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.3 p -140.54 -2.81 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 124' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.727 0.299 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 59.55 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.046 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.95 -37.2 72.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.39 110.15 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -150.33 107.79 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -102.97 139.35 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -98.3 115.83 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -139.91 142.21 36.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.37 -129.3 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.636 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.85 160.03 39.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -161.12 159.06 28.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -109.48 135.36 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -132.24 139.89 48.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.708 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 44.2 t-105 -55.09 108.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.701 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.09 99.34 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -73.11 0.18 12.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.969 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.16 -62.02 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -93.98 -5.57 47.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.602 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.4 mp0 57.76 72.87 0.49 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.446 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -171.27 169.6 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -96.99 133.1 42.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -135.99 163.29 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -95.2 129.35 42.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.61 156.8 41.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -97.96 100.1 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.2 m -93.02 163.18 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.081 0.467 . . . . 0.0 111.799 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.77 123.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.79 123.54 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.384 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.02 138.49 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.115 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.25 45.25 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . 60.93 15.27 5.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.378 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.7 mttt -123.78 171.65 9.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 33' ' ' CYS . 35.3 tp -131.0 117.33 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.767 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -105.87 126.22 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -111.46 133.73 53.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -87.93 177.1 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.315 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.41 165.82 16.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.679 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -43.38 117.05 1.03 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' GLU . 41.8 pt -85.14 -36.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . 10.0 pt-20 -115.73 -27.58 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.02 30.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.4 p -49.13 116.7 1.78 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.3 mtm -95.25 1.48 54.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.31 148.51 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.05 -51.93 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.747 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -138.16 18.2 2.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 56.91 66.0 3.46 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.909 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.09 -60.65 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.641 2.227 . . . . 0.0 112.173 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.8 tp -142.73 110.59 5.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.59 86.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.6 m -65.15 147.98 52.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -68.47 -18.47 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 p -106.47 94.29 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 6.5 tpm_? -88.12 -20.39 25.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.46 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.03 155.93 12.79 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 34.3 mt -138.42 141.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 111.705 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.4 mm? -99.92 111.57 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.92 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.521 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.3 m-20 -51.42 -27.23 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' O ' HG22 ' A' ' 118' ' ' THR . 94.4 mt 60.63 5.04 0.83 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.296 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -104.21 -8.44 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 62.1 p -141.76 57.14 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -150.52 171.42 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 22.6 m120 -137.26 131.05 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.256 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 87' ' ' LEU . 33.7 t -96.14 134.91 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -137.59 120.79 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -74.76 104.48 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.569 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -76.36 120.58 82.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.194 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.3 Cg_exo -78.04 -70.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.023 2.482 . . . . 0.0 112.745 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -59.04 -15.14 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.1 161.25 6.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.237 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' ' HG2' ' A' ' 98' ' ' GLU . 14.1 ttpp -116.92 165.36 13.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.761 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 62.75 -92.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.254 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -144.0 9.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.929 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -98.19 173.54 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -112.95 -61.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.27 98.45 11.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.751 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 90.0 t -125.15 154.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 111.684 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 19.7 m-85 -134.44 119.44 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 45.0 mt -100.0 139.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 71' ' ' VAL . 36.3 mt -101.53 130.04 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.203 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.1 mt-10 -115.12 107.3 50.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.695 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.8 Cg_endo -57.76 153.17 44.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.589 2.193 . . . . 0.0 112.731 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -120.79 0.45 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.343 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.85 -63.1 1.42 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -160.52 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.12 21.89 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.965 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.27 158.0 2.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 88.2 Cg_endo -85.92 143.1 8.01 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.941 2.427 . . . . 0.0 112.84 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 11.8 Cg_exo -71.23 168.08 24.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.779 2.319 . . . . 0.0 111.952 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.08 127.04 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.5 mp0 -95.53 142.29 28.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 111.244 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.51 147.62 52.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.508 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.86 151.27 34.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.949 0.404 . . . . 0.0 111.762 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.8 p -121.6 -169.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.827 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.83 2.55 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -145.06 162.28 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.17 -32.94 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.98 -50.65 32.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.78 -28.64 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.3 tp -67.86 -56.41 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.953 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -66.63 -27.62 67.84 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.59 -179.218 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.26 -57.99 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 111.867 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -68.75 -46.41 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 30.3 m-85 -70.44 -31.0 67.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.12 -33.23 71.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.398 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 m -68.33 -45.27 73.36 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.014 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.2 -35.35 57.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-O 121.258 0.551 . . . . 0.0 109.525 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.9 mtt180 -76.13 -27.96 57.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.214 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.84 -18.82 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.233 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.7 mt -108.2 -31.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.402 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' LEU . 77.5 p -98.15 -61.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.481 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 57.1 t-105 -60.29 -24.69 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -118.13 114.2 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.84 120.46 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.29 80.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.76 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.4 m -156.88 -59.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 110.817 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -92.24 179.98 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -121.13 117.77 28.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 13' ' ' LYS . 41.2 tt0 -94.08 122.54 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -96.35 4.19 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 57.1 mtpt 60.39 104.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.245 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.548 ' HB2' HD12 ' A' ' 35' ' ' ILE . 24.4 mm-40 -63.79 142.47 58.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.211 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 51.4 tt0 -169.14 137.75 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 167.79 -132.9 2.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.96 136.63 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -138.02 166.36 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -110.36 140.83 44.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.2 mtp -138.01 136.91 37.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -56.24 122.11 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.449 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -104.95 102.1 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.38 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 p -76.25 -3.51 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.88 -50.94 29.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.44 0.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.079 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 54.37 72.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.77 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HE2' HG22 ' A' ' 29' ' ' THR . 24.6 pttm -171.73 176.44 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -106.26 116.32 31.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 27' ' ' LYS . 30.3 p -110.37 169.25 8.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -90.47 125.52 35.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -122.54 154.28 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -107.43 99.1 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.663 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -92.13 166.23 12.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.536 . . . . 0.0 111.936 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -171.86 119.77 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.269 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 14' ' ' GLN . 86.2 mt -88.57 114.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.098 0.475 . . . . 0.0 111.651 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.43 39.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.768 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 59.59 46.5 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.215 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 61.22 14.1 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.9 mttt -119.87 145.57 46.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 111.468 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.9 tp -107.87 116.98 32.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -112.68 120.39 41.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.242 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -105.87 130.88 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -87.78 162.39 17.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.7 165.61 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.62 133.35 3.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.3 pt -98.78 -35.13 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.47 -26.05 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.98 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -86.1 19.3 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -54.77 142.52 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.7 mtp -129.76 17.89 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.37 170.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -79.1 -69.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -120.78 26.31 9.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.718 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 3.5 p-10 40.83 64.69 4.79 Favored Pre-proline 0 N--CA 1.462 0.162 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.301 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 25.2 Cg_exo -62.9 -59.94 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.674 2.249 . . . . 0.0 112.276 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -147.14 121.02 9.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.08 -39.68 4.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.7 p 50.4 -165.59 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 60' ' ' CYS . 23.8 tp -134.68 167.59 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 t 59.99 86.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -80.98 -28.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.493 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.57 161.06 34.81 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.066 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.75 135.74 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.582 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.4 mm? -103.17 108.96 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.871 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -49.22 -30.59 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.687 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.0 mt 62.08 4.78 1.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.54 -12.63 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.0 p -141.18 62.64 1.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.059 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -150.78 171.64 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 87' ' ' LEU . 70.1 t -96.15 134.66 32.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.77 120.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.839 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.18 104.56 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.625 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.43 119.88 78.68 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.546 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 91.2 Cg_endo -80.82 -63.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.789 2.326 . . . . 0.0 113.415 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.546 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 66.4 mt-30 -60.14 -10.68 4.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.1 51.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.108 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HD2' HD11 ' A' ' 86' ' ' ILE . 45.1 mtpt -141.8 149.87 40.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 111.09 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.28 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.176 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -146.67 13.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.97 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -101.96 166.97 10.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.9 m -106.14 -56.17 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.048 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.41 105.14 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.781 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 79.4 t -127.5 153.97 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.883 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 24.3 m-85 -135.21 126.09 27.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 78' ' ' LYS . 48.0 mt -107.57 137.92 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 71' ' ' VAL . 42.7 mt -99.43 128.32 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.285 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 41.6 mt-10 -114.56 108.14 49.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.625 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 16.2 Cg_endo -55.78 150.53 44.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.409 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -118.24 3.43 11.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.416 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.0 mt-30 -64.76 -61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -162.13 -91.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.68 22.13 7.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.963 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -54.42 158.44 4.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.613 0.244 . . . . 0.0 110.759 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.98 153.92 17.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.752 2.302 . . . . 0.0 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.85 168.23 9.52 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.968 2.445 . . . . 0.0 112.29 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -135.32 133.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -100.99 140.56 35.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' HG13 ' A' ' 84' ' ' VAL . 40.6 m-85 -129.28 158.41 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.54 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.03 153.23 23.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -121.74 -169.46 1.87 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -120.66 -10.6 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -138.55 166.69 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.0 -32.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.4 -49.39 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.17 -28.73 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.2 tp -67.19 -56.67 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.0 -27.54 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.566 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.55 -58.32 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.861 0.363 . . . . 0.0 111.836 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.416 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 23.5 m95 -67.64 -49.22 64.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.524 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.1 m-85 -66.44 -41.39 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.9 tm0? -59.83 -36.14 76.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -66.5 -43.97 83.86 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.921 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.61 -33.23 48.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 11.3 mtt180 -76.41 -29.99 57.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.019 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 113' ' ' SER . 31.2 mt-10 -63.03 -18.72 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.399 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 38' ' ' ALA . 65.5 mt -107.85 -30.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.599 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.6 p -101.35 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.3 t-105 -61.45 -21.25 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -125.09 162.87 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 69.2 mt -132.49 106.45 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.74 19.57 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 t -143.25 145.46 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.903 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.25 18.27 9.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.63 134.7 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.69 -71.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -162.28 20.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 4.2 mmmp? -56.57 124.34 17.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.962 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.486 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 1.4 mm-40 -133.11 142.44 48.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 61.5 tt0 -167.08 137.36 3.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.64 -143.85 8.0 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.38 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.6 143.92 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.59 173.65 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -126.39 138.55 53.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -134.83 147.61 49.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.648 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -64.97 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.68 104.07 10.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.447 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.8 p -74.51 -6.02 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.179 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mm -71.25 -49.15 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.43 1.92 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.099 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 51.05 68.19 0.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -166.51 178.84 5.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.992 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -106.11 113.25 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.766 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.635 ' HA ' HE22 ' A' ' 48' ' ' GLN . 80.4 p -99.93 163.54 12.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -104.81 121.77 44.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.61 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 135.76 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -73.84 96.75 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.182 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' HD11 ' A' ' 40' ' ' LEU . 71.6 m -85.67 159.92 19.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.448 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.39 125.06 1.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.9 mt -88.79 106.65 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.19 41.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.846 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.29 -83.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.29 2.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.585 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.0 mttt -115.69 150.48 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 111.444 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.7 tp -107.77 117.52 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.075 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -114.58 124.34 51.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 111.366 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -109.44 131.87 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.537 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -87.89 171.76 10.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.244 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.5 165.44 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 4.5 m-20 -45.25 138.56 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -99.96 11.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.398 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -163.39 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.635 HE22 ' HA ' ' A' ' 29' ' ' THR . 75.8 mt-30 -73.07 -33.98 65.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.774 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p 50.5 -81.01 0.01 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLN . 55.5 mtm 64.66 93.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.791 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.94 124.38 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -60.16 -50.89 71.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.26 21.53 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.575 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 55.29 69.61 1.92 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.657 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.29 -52.9 2.25 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.693 2.262 . . . . 0.0 112.413 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.2 tp -159.86 -66.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.72 55.64 1.99 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -64.76 173.55 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 59' ' ' LEU . 7.4 tt -86.58 -74.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.706 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -62.39 106.74 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -95.91 -40.96 9.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.701 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.43 153.51 24.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.126 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mt -142.43 137.64 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 111.593 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -98.31 113.28 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.931 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.0 m-20 -49.16 -34.33 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.2 mt 60.97 5.12 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.381 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -97.8 -19.35 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.05 0.452 . . . . 0.0 110.144 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.2 p -139.59 70.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.21 171.44 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.5 m-20 -138.9 130.9 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.264 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.0 t -95.99 129.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 0.0 111.138 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.9 OUTLIER -135.85 120.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.968 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.33 104.73 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.36 121.34 75.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.48 153.32 23.7 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.923 2.415 . . . . 0.0 112.597 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.24 23.23 4.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.94 -141.77 48.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.305 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -154.45 -39.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.73 0.3 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.19 -81.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -129.9 9.7 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -97.35 -174.34 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.192 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.0 m -131.16 -35.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.07 96.25 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.661 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 100' ' ' ALA . 40.2 t -125.75 146.29 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 112.047 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 18.5 m-85 -123.24 139.56 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.009 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 67.2 mt -116.43 137.49 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 112.474 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.2 mt -99.74 128.17 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.485 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.3 mt-10 -115.38 109.13 46.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.496 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.4 Cg_endo -54.42 153.08 23.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.54 2.16 . . . . 0.0 112.595 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -120.92 1.44 10.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.495 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.2 tp-100 -64.06 -63.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.45 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.596 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.36 37.99 2.09 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.552 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -75.7 159.5 81.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.523 0.201 . . . . 0.0 110.595 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.19 153.22 16.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.686 2.257 . . . . 0.0 112.93 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.51 168.23 13.0 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.755 2.303 . . . . 0.0 112.211 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.6 t -139.51 133.54 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 0.0 111.47 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.3 mp0 -102.5 143.01 32.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.234 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 84' ' ' VAL . 38.0 m-85 -130.97 158.97 38.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 153.73 24.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.987 0.422 . . . . 0.0 111.9 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -121.31 -169.89 1.93 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.718 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -119.81 -1.68 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 93.6 mtt180 -146.42 164.13 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.01 -31.48 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.09 -52.01 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 103' ' ' ARG . 5.7 mm-40 -59.56 -26.62 65.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 0.0 110.033 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.5 tp -67.84 -56.69 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -66.5 -27.4 67.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.517 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.486 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.89 -58.23 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.376 . . . . 0.0 111.863 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -68.37 -49.05 62.91 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -65.27 -42.59 93.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 23.1 tm0? -58.98 -36.47 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 55.5 m -66.3 -42.97 87.56 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.799 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.46 -32.7 49.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 13.1 mtt180 -75.7 -29.82 59.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 113' ' ' SER . 34.5 mt-10 -65.75 -17.98 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.907 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.32 -31.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.7 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -108.38 -60.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 111.514 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 74.6 t-105 -58.91 -18.42 33.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' HG3' ' H ' ' A' ' 121' ' ' ILE . 19.8 tptm -83.36 174.31 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.556 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 64.2 mt 65.55 105.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.79 -174.16 4.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.4 t -75.46 -11.82 60.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 124' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -112.17 21.34 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 59.8 97.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 57.35 -172.78 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -141.83 143.21 33.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -97.2 101.88 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -102.53 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.76 146.66 47.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.32 -129.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.457 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -139.48 144.19 37.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.92 169.95 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.07 142.08 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.5 mtp -134.66 137.97 44.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -60.79 123.17 16.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.381 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.76 105.82 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 p -80.31 -0.36 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.246 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.97 -39.25 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.296 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.52 -0.43 8.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.892 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.78 72.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -169.81 176.09 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.924 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -106.23 132.91 51.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.731 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 48' ' ' GLN . 71.1 p -130.53 165.0 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.49 121.53 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -119.65 129.22 54.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -73.94 103.33 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.276 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 92.4 m -93.96 160.66 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.653 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.27 117.47 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.71 123.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 111.441 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 139.48 20.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.31 43.82 19.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 61.11 16.89 7.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -123.92 170.31 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.6 tp -130.84 117.35 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' HB3' HG12 ' A' ' 63' ' ' ILE . 35.8 p -106.71 120.65 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -104.73 138.7 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.132 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.4 m -92.97 159.13 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.62 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.9 p-10 -61.26 165.76 4.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.762 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.14 121.74 5.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG13 ' HG3' ' A' ' 47' ' ' GLU . 41.2 pt -95.8 -31.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.643 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG3' HG13 ' A' ' 46' ' ' ILE . 34.7 mt-10 -93.39 -47.96 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' HG3' HG22 ' A' ' 29' ' ' THR . 85.1 mm-40 -80.54 -43.49 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.731 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p 52.02 110.12 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.862 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.2 mmm -101.52 95.64 6.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.996 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 46.2 mt-10 -145.47 102.83 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.92 -57.89 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.775 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -119.01 17.96 13.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 16.9 m120 57.96 67.69 2.18 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.03 -59.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.727 2.285 . . . . 0.0 112.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.0 tp -164.0 103.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.44 54.29 4.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -63.04 172.63 1.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 59' ' ' LEU . 2.7 tm? -87.19 -67.18 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -61.03 102.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 12.1 tpp180 -90.99 -13.92 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.39 154.57 8.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.959 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 41' ' ' SER . 36.2 mt -135.43 142.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.643 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -104.06 110.73 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.912 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -50.97 -27.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 96.7 mt 60.03 4.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -99.15 -12.79 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.275 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.2 p -139.49 61.56 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 88' ' ' GLU . 20.3 m-85 -151.7 170.85 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.594 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.6 m-20 -137.97 130.85 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.383 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.4 125.92 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.158 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -132.13 121.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.961 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -74.56 104.69 5.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.507 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -78.28 120.7 82.11 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.356 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_exo -76.38 156.7 37.02 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.998 2.465 . . . . 0.0 112.528 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 56.86 13.19 1.38 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.74 -171.26 5.89 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.445 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -139.9 154.84 47.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 110.726 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 65.84 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.994 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -144.68 18.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.9 176.2 5.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.444 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -119.76 -26.38 5.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.19 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.41 103.61 7.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.537 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 99' ' ' PHE . 40.7 t -129.9 148.65 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.4 m-85 -124.82 152.7 43.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.525 ' HB ' HG23 ' A' ' 72' ' ' VAL . 60.6 mt -130.19 133.58 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.33 125.7 41.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.475 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -113.69 111.66 48.68 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.886 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 34.4 Cg_endo -60.85 127.77 23.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.435 2.09 . . . . 0.0 112.097 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.63 6.92 5.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.458 ' HG3' ' OD2' ' A' ' 94' ' ' ASP . 11.0 pt20 -110.13 115.59 30.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 41.35 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.371 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.9 47.13 2.04 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.527 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 7.8 m-20 -61.47 164.43 9.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 50.8 Cg_endo -65.69 142.51 70.71 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.318 2.679 . . . . 0.0 113.359 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.73 168.18 7.06 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.968 2.445 . . . . 0.0 111.892 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.1 128.06 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.752 0.31 . . . . 0.0 111.293 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -101.4 143.07 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 47.3 m-85 -131.76 162.66 29.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.536 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.39 156.89 29.27 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.897 0.38 . . . . 0.0 111.599 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.1 p -124.32 -173.8 2.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 103' ' ' ARG . 1.6 p-10 -113.37 -11.98 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HG3' ' OD2' ' A' ' 102' ' ' ASP . 43.0 mtm180 -141.31 171.82 13.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.984 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.23 -39.55 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.13 -52.35 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.73 -26.96 66.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.0 tp -68.5 -56.59 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -67.18 -27.61 67.42 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.584 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.05 -57.77 4.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.891 0.377 . . . . 0.0 111.677 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -69.21 -49.02 60.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -66.66 -31.61 72.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.7 tm0? -70.35 -35.43 73.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 46.2 t -68.66 -49.07 62.01 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.407 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.9 mt -54.24 -34.86 28.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 56.9 ttt180 -76.48 -33.0 58.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.337 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 25.8 mt-10 -57.52 -19.14 22.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.821 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -109.05 -21.37 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.947 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.6 p -107.81 11.99 27.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 29.1 m95 -148.58 -41.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.948 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.497 ' HD2' ' HG2' ' A' ' 116' ' ' GLU . 66.8 mttm -100.81 149.92 23.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.8 mt -128.89 105.02 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.92 109.66 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.0 t -88.25 -13.9 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 58.94 -174.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.38 -40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 57.12 -171.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 62.59 112.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 62.16 107.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.274 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -96.16 106.01 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.373 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -123.47 143.2 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 -138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.346 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.24 144.94 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.47 166.27 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.55 137.58 52.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 83.8 mtp -130.73 131.69 44.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.78 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.61 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.6 t-105 -58.46 109.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.526 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.13 100.9 8.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -73.85 1.84 9.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.912 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mm -89.4 -61.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.77 -6.58 45.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.3 mp0 58.46 72.27 0.54 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.391 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -169.79 172.65 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.697 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -107.17 125.59 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 48' ' ' GLN . 78.3 p -117.07 169.06 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -91.03 121.8 33.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -120.25 157.43 29.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 74.4 t80 -114.79 98.95 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.68 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -94.17 166.99 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.149 0.5 . . . . 0.0 111.854 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.91 117.56 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.487 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -88.65 132.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.001 0.429 . . . . 0.0 111.304 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.38 120.92 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 65.99 -80.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -151.29 14.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 88.4 mttt -121.99 142.14 50.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 111.557 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.3 tp -107.67 117.03 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.739 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -111.7 121.38 44.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.541 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -108.21 138.77 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.386 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 88.1 p -92.96 163.65 13.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.391 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.512 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 21.0 t70 -72.06 165.67 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -42.07 115.43 0.67 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.73 -31.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.294 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.99 -28.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' HG2' HG22 ' A' ' 29' ' ' THR . 5.8 tp-100 -85.88 32.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -52.44 124.37 13.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.0 mtt -88.17 -1.36 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.12 156.83 26.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -59.6 -69.5 0.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.61 13.16 14.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 47.1 t30 55.85 65.67 4.22 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 15.9 Cg_exo -68.43 -57.96 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.71 2.273 . . . . 0.0 112.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -108.86 177.56 4.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.19 117.87 1.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.602 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -99.7 168.98 9.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.804 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 59' ' ' LEU . 1.2 tm? -70.72 -58.51 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -76.84 93.03 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.3 tpt180 -77.1 -23.92 51.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.89 150.56 12.57 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.713 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.4 mt -137.86 124.58 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -94.2 106.28 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.853 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.56 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.7 p-10 -53.74 -25.47 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.744 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.8 mt 62.49 5.14 1.53 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.442 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -89.65 -4.36 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.718 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 65' ' ' ASP . 4.3 t -153.65 63.86 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.377 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -151.76 171.2 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 89.8 m-20 -138.93 129.97 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.333 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.28 127.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.513 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.78 124.12 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.005 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -77.52 104.51 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.332 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -77.29 120.77 82.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.1 Cg_endo -82.17 -64.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.059 2.506 . . . . 0.0 112.786 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.05 -17.79 11.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.31 -159.1 22.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -138.93 -61.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.213 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -140.29 103.2 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 57.04 16.45 2.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.501 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -118.73 157.82 26.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.4 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -109.22 -49.4 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -100.44 104.34 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.865 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 100' ' ' ALA . 20.7 t -136.41 149.8 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 111.867 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -124.98 152.25 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 72' ' ' VAL . 58.5 mt -131.0 134.53 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.1 mt -96.56 126.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.396 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.9 mt-10 -114.77 110.09 46.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.844 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -58.2 143.59 96.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.453 2.102 . . . . 0.0 112.294 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -107.43 5.68 27.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -75.52 -84.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.32 -139.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.25 33.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.339 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.535 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -63.17 155.96 71.0 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.543 0.211 . . . . 0.0 110.682 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.48 150.41 15.0 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.3 . . . . 0.0 112.985 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.52 168.36 9.93 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.879 2.386 . . . . 0.0 112.214 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.52 131.84 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -101.33 142.56 32.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.011 0.434 . . . . 0.0 111.352 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 84' ' ' VAL . 42.4 m-85 -130.52 159.04 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.344 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -156.75 161.5 39.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.047 0.451 . . . . 0.0 111.822 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.7 p -132.68 -174.96 3.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.45 -3.26 9.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -146.6 162.74 37.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.771 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.71 -25.55 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.3 -53.26 14.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.02 -32.5 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.407 . . . . 0.0 110.314 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.1 tp -65.5 -56.35 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.66 -29.31 69.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.661 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.67 -58.01 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -68.73 -49.03 62.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' HE2' HD12 ' A' ' 107' ' ' LEU . 41.7 m-85 -68.59 -31.06 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.8 tm0? -70.0 -35.29 74.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 57.1 m -68.7 -48.07 64.81 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.248 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.9 -34.82 38.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.0 mtt180 -76.9 -27.9 55.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.624 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 113' ' ' SER . 20.3 mt-10 -57.83 -22.44 47.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.601 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 117' ' ' ILE . 3.0 mp -96.44 -40.91 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.659 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.6 p -94.25 -64.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.446 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 65.7 t-105 -55.69 -25.96 42.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -117.34 115.06 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 70.6 mt -133.25 107.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -85.32 162.01 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.3 p -99.05 168.51 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.73 0.3 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -102.47 118.91 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -156.28 -44.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -119.0 117.97 30.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -154.07 136.17 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -138.63 152.49 48.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -96.14 111.18 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -136.16 139.4 42.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.93 -147.73 8.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.87 139.12 50.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.8 mt -135.65 171.56 14.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.977 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -120.44 127.48 52.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -124.32 148.23 47.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -60.02 128.35 36.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.44 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.39 100.98 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.383 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 p -73.3 -7.29 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.287 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.73 -56.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 110.399 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -107.58 1.55 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 53.38 70.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.564 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.13 179.34 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.904 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -101.89 128.55 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.6 p -124.11 168.98 12.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -90.28 135.25 33.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -133.48 154.2 51.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 80.6 t80 -102.93 95.86 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.559 ' HB3' HD11 ' A' ' 40' ' ' LEU . 78.6 m -91.78 160.57 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.562 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.65 121.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.4 mt -88.65 124.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 111.361 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.58 121.4 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.962 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 65.1 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.191 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -147.17 10.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.358 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 67.8 mttm -119.1 165.56 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.9 tp -128.57 117.63 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HB3' HG12 ' A' ' 63' ' ' ILE . 38.9 p -106.52 122.01 45.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.316 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -105.13 131.31 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 48.3 t -88.72 159.27 17.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.405 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.98 165.58 23.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.587 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.484 ' CB ' ' H ' ' A' ' 49' ' ' THR . 4.1 m-20 -43.25 131.69 4.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.95 4.7 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.525 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -157.53 -36.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 50' ' ' MET . 84.9 mm-40 -67.4 -56.94 7.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.484 ' H ' ' CB ' ' A' ' 45' ' ' ASP . 42.7 p 50.65 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.024 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' GLN . 84.2 mmm 62.78 16.36 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.297 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -110.87 99.28 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 54' ' ' ASN . 2.2 mp0 -92.85 164.28 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.436 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 64.89 -7.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.539 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 39.1 m-80 -140.68 58.96 10.67 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.991 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 5.5 Cg_exo -79.86 109.63 2.44 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.901 2.401 . . . . 0.0 112.149 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.0 tp -171.54 154.06 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -147.71 140.23 8.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 m -126.41 18.13 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp 59.87 -86.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.8 p -57.0 99.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 61' ' ' ARG . 6.0 tpm_? -94.44 -26.38 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.502 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.44 155.99 20.06 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.006 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 41' ' ' SER . 43.7 mt -137.76 140.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.565 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.1 mm? -102.23 111.09 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 5.3 m-20 -50.88 -27.73 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.4 mt 60.24 6.09 0.94 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -104.04 1.07 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.379 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -152.92 55.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -146.65 171.36 15.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.71 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 21.0 m120 -137.03 131.09 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.351 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 87' ' ' LEU . 59.1 t -96.06 131.39 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -132.33 128.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -80.37 104.71 11.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.64 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.42 120.5 80.61 Favored Pre-proline 0 C--O 1.237 0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.137 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.26 151.44 29.89 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.843 2.362 . . . . 0.0 112.757 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 55.97 15.41 1.73 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.22 -169.61 13.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.391 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -138.68 149.43 45.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.559 0.218 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 69.65 -77.81 0.05 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.016 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -145.36 16.39 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.4 178.24 4.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.7 m -123.13 -26.28 4.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.367 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -129.04 102.45 6.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -127.87 147.69 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 111.884 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.3 m-85 -131.51 123.71 28.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.44 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 62.7 mt -101.52 141.5 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.1 mt -101.21 129.39 47.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.304 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -114.98 103.89 54.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.713 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 19.9 Cg_endo -59.83 153.13 58.89 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.479 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.502 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.445 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 51.1 tt0 -59.72 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -154.98 85.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.729 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.5 21.14 2.93 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.444 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.463 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -56.93 158.83 8.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.681 0.24 . . . . 0.0 110.706 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.09 149.79 41.9 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.57 2.18 . . . . 0.0 112.899 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.31 168.31 11.73 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.902 2.401 . . . . 0.0 112.307 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.48 130.65 57.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.29 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.557 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -97.66 139.76 33.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.285 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.69 159.48 35.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.1 158.83 35.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 111.685 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.421 ' OG1' HD23 ' A' ' 107' ' ' LEU . 64.3 p -125.97 -167.95 1.78 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.78 -2.14 6.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 107' ' ' LEU . 95.6 mtt180 -140.44 165.73 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.19 -37.6 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.01 -53.6 36.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 110' ' ' TRP . 6.7 mm-40 -60.03 -31.33 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 110.04 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 103' ' ' ARG . 2.4 tm? -57.16 -56.71 18.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.1 t80 -72.46 -42.86 64.49 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.279 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.74 -58.21 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.3 m95 -60.6 -49.18 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -70.81 -30.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.583 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.4 tm0? -60.65 -37.48 81.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.3 p -69.24 -46.26 67.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.78 -34.56 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 12.9 mtt180 -76.49 -31.57 57.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.357 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.1 -18.77 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.648 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 66' ' ' LEU . 72.5 mt -107.74 -30.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.4 p -101.01 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.7 t-105 -60.47 -22.2 63.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -123.8 112.17 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.6 mt -130.3 105.03 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -153.39 123.95 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.7 t -137.76 -20.35 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.862 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.819 0.342 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.534 HE21 ' HB1' ' A' ' 34' ' ' ALA . 48.6 mt-30 -134.08 146.91 50.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.91 -143.19 7.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.423 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -119.82 153.41 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.55 175.74 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -125.22 138.31 54.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.03 0.443 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 78.7 mtp -133.42 137.31 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.472 ' HZ2' HE21 ' A' ' 26' ' ' GLN . 43.8 t-105 -57.2 125.51 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.38 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -117.17 99.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.481 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -71.7 -6.37 40.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -66.0 -42.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.272 0.558 . . . . 0.0 109.635 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.45 2.49 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.67 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.472 HE21 ' HZ2' ' A' ' 21' ' ' TRP . 3.2 mt-30 50.24 69.94 0.56 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.987 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -167.47 177.49 5.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.939 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -109.45 115.61 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -106.07 168.43 9.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -94.73 126.27 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -123.0 144.1 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 77.3 t80 -89.69 95.83 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.092 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB3' HD11 ' A' ' 40' ' ' LEU . 96.7 m -90.52 160.68 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.582 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.88 118.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.598 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -88.73 125.77 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.369 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 121.26 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 65.2 -81.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.33 13.67 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.469 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 99.2 mttt -122.9 160.3 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.342 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 33' ' ' CYS . 31.6 tp -123.4 117.61 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 p -108.5 125.98 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.401 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -113.59 134.55 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 45.0 t -93.34 164.32 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.365 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.77 166.03 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -41.45 132.0 2.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.189 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.96 1.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.7 tpm_? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.065 0.46 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.08 151.97 12.95 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.96 138.37 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.5 mm? -101.23 110.92 23.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.971 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.538 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.5 m-20 -52.35 -26.98 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 98.0 mt 60.56 7.45 1.37 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.276 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.87 -9.53 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.354 179.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -141.31 57.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -149.59 171.51 16.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -139.49 131.24 27.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.5 t -96.2 134.81 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 111.298 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.8 OUTLIER -139.16 120.63 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.79 104.34 3.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . -76.14 120.7 82.84 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.18 155.54 42.11 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.943 2.429 . . . . 0.0 112.282 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 56.88 13.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.75 -168.42 3.71 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.572 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.563 ' H ' ' HB2' ' A' ' 81' ' ' LYS . 36.7 mtpt -145.11 137.83 26.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 54.46 82.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.294 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.23 17.1 6.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.177 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.563 ' HB2' ' H ' ' A' ' 78' ' ' LYS . 71.8 mmtt -113.5 167.63 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.485 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.0 t -124.2 -25.75 4.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.617 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.89 105.54 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 100' ' ' ALA . 27.0 t -133.09 150.94 33.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 21.2 m-85 -129.6 135.05 48.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.215 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.545 HG12 ' HG3' ' A' ' 98' ' ' GLU . 70.8 mt -113.86 138.63 43.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.3 mt -100.04 130.47 46.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.28 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.7 mt-10 -117.63 107.09 45.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.687 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 14.9 Cg_endo -56.18 152.96 35.29 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.553 2.169 . . . . 0.0 112.414 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.3 mtpt -121.58 3.32 10.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.495 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 8.2 tp-100 -61.81 -62.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.08 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.13 31.8 2.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.72 158.95 81.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.566 0.222 . . . . 0.0 110.615 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.27 153.31 14.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 112.895 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -83.82 168.14 12.56 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.891 2.394 . . . . 0.0 112.196 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.57 131.71 47.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.335 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.08 141.8 31.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 84' ' ' VAL . 41.8 m-85 -130.31 158.38 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.481 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 162.28 36.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.023 0.44 . . . . 0.0 111.77 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -135.74 -173.59 3.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.48 7.47 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -146.51 160.6 41.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.41 -33.82 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.152 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.01 -50.24 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.42 -32.36 70.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.017 0.437 . . . . 0.0 110.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.73 -56.33 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.5 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.98 -27.7 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.659 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.39 -58.08 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -68.63 -41.08 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.1 m-85 -75.02 -30.92 61.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.74 -33.0 71.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -68.72 -46.81 67.95 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.126 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.2 -34.49 45.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.452 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 87.3 mtt180 -76.37 -31.6 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 113' ' ' SER . 12.1 mm-40 -60.21 -19.75 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.469 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 66' ' ' LEU . 73.1 mt -108.54 -32.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.555 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' LEU . 66.1 p -98.5 -62.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.342 . . . . 0.0 111.297 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.628 0.251 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 80.0 mt-30 -125.15 133.08 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.85 -132.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.452 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -130.19 139.67 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.997 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.47 160.3 42.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -106.81 145.21 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 mtm -141.25 139.31 33.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -57.94 123.63 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -107.38 104.12 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 p -78.83 -1.68 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.363 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.7 mp -75.46 -45.31 40.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 110.225 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.79 0.18 11.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.011 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 54.2 72.74 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.743 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -171.46 176.48 3.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.849 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -105.28 129.39 53.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.6 p -124.44 165.64 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -94.67 122.31 37.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -117.55 163.09 16.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -109.01 97.6 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.852 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.562 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.5 m -87.53 162.42 17.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.812 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.36 113.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.705 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.4 mt -88.92 113.15 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.222 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.38 122.78 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 63.68 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.33 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.36 7.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.403 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.7 mttt -119.38 158.82 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.193 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.0 tp -120.99 117.61 27.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -108.74 120.28 42.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.994 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -105.23 132.69 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.616 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.8 m -95.38 176.94 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 4.9 p-10 -66.98 165.21 16.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.42 151.19 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -101.97 -4.16 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 33.4 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.955 0.407 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.8 151.04 5.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.995 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 46.6 mt -138.89 141.17 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 111.448 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.2 mm? -103.01 110.58 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 p30 -51.25 -29.08 13.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 118' ' ' THR . 89.3 mt 62.19 4.22 1.18 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.637 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.28 -8.42 21.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.923 0.392 . . . . 0.0 110.305 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 78.4 p -143.34 61.61 1.39 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.92 171.34 17.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.586 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 49.3 m-80 -138.29 131.13 29.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.3 t -96.14 132.34 40.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.904 0.383 . . . . 0.0 111.153 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -138.32 120.95 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -75.72 104.68 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.521 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.39 120.87 83.59 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.265 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.04 -70.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.934 2.423 . . . . 0.0 112.849 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -55.11 -21.42 12.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.19 -162.96 12.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.227 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HD3' HD11 ' A' ' 86' ' ' ILE . 20.1 mmmt -138.52 -28.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -141.5 -83.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -127.3 7.21 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.77 -173.92 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.981 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t -128.38 -54.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.948 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -92.37 92.43 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.65 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 67.9 t -117.91 155.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 111.894 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 27.8 m-85 -136.11 125.12 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.193 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 57.2 mt -106.5 138.12 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' HG22 ' A' ' 71' ' ' VAL . 43.3 mt -99.97 128.28 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.303 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.2 mt-10 -114.68 104.97 54.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.73 152.02 59.58 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.42 2.08 . . . . 0.0 112.553 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG2' HD21 ' A' ' 70' ' ' ASN . 46.6 mtpt -115.98 1.4 13.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.355 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 49.2 tt0 -97.46 129.66 44.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 43.8 -92.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.797 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.84 33.35 0.44 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.771 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -50.57 160.85 0.7 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 110.95 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.1 156.65 11.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.747 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.68 168.1 14.44 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.789 2.326 . . . . 0.0 112.299 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.67 129.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.6 mp0 -96.52 141.34 29.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.924 0.392 . . . . 0.0 111.324 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.6 m-85 -130.69 156.97 44.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.465 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.08 147.83 18.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 111.822 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.6 p -118.08 -172.54 2.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.709 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.12 -9.32 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 61.5 mtt180 -139.39 161.59 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.46 -28.17 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.25 -52.99 18.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' HB2' ' A' ' 103' ' ' ARG . 7.4 mt-10 -60.45 -30.64 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.228 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.532 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -66.97 -56.76 8.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.51 -28.01 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.574 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.455 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -74.85 -58.37 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -69.11 -49.32 58.14 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.532 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.5 m-85 -67.13 -42.56 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.4 tp60 -60.93 -35.29 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.424 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -68.56 -45.92 70.83 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.022 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.86 -33.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 88.0 mtt180 -76.09 -36.04 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.588 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 35.1 mt-10 -59.64 -17.86 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.441 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.46 -21.75 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' LEU . 70.7 p -113.01 -57.25 2.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.766 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 4.5 m95 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.04 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 13.7 mm100 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.949 0.404 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 7.7 tt0 -169.05 137.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.59 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 170.41 -135.74 3.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.49 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -128.63 132.74 48.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.77 172.06 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -121.96 136.89 54.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.5 mtm -133.39 141.01 47.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -57.29 131.17 49.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -115.02 100.44 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.368 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.5 p -72.33 -7.95 52.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.388 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.6 -55.61 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.491 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -108.25 -0.01 21.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.64 68.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.572 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -170.23 176.65 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.669 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -103.49 134.25 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -121.26 169.0 11.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -97.9 122.31 40.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -120.58 160.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 40.5 t80 -109.85 96.02 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.747 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 40' ' ' LEU . 85.0 m -89.01 162.91 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.861 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -169.81 116.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.587 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 14' ' ' GLN . 87.5 mt -88.77 136.84 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.318 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.14 134.54 2.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.29 41.32 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 60.56 22.54 12.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.434 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 27.7 mtmt -131.69 135.68 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 33' ' ' CYS . 28.5 tp -107.44 117.04 33.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -111.7 116.45 30.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.051 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -103.94 133.0 49.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 94.2 p -89.25 161.63 16.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.71 165.6 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -45.88 142.52 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -103.2 -28.06 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.678 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.35 -179.723 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.938 0.399 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.81 166.47 36.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 39' ' ' LYS . 62.6 mt -141.5 139.22 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.512 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.3 mm? -107.76 107.99 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.859 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.3 t70 -55.77 -22.15 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.392 . . . . 0.0 110.661 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' C ' HD22 ' A' ' 67' ' ' ASN . 95.0 mt 61.25 9.87 2.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.387 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -109.08 -6.85 15.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.0 p -139.45 53.25 1.72 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.427 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -151.49 169.31 22.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.4 m-20 -137.83 131.74 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 87' ' ' LEU . 24.8 t -96.28 133.9 35.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.864 0.364 . . . . 0.0 111.096 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -136.74 120.87 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.26 104.67 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.417 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.27 120.79 82.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.321 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 83.9 Cg_endo -78.11 -52.77 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.791 2.327 . . . . 0.0 113.044 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 65.3 mt-30 -79.92 11.01 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.731 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 -140.2 29.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.298 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -149.89 -59.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -136.92 102.57 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 58.64 14.79 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.405 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -115.97 164.24 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.47 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -114.32 -51.46 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -98.36 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.6 t -132.65 152.6 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 111.748 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.9 m-85 -133.7 122.82 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 98' ' ' GLU . 64.2 mt -103.28 139.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 71' ' ' VAL . 28.4 mt -100.81 130.93 46.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.164 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.0 mt-10 -117.32 111.14 40.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.031 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 33.5 Cg_endo -61.19 132.5 41.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.553 2.169 . . . . 0.0 112.326 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -87.03 5.44 37.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.684 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.54 -7.3 55.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 94' ' ' ASP . 19.8 mt-30 63.24 152.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.621 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.81 -23.78 0.83 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.503 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -75.9 156.36 84.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.561 0.219 . . . . 0.0 110.657 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -84.64 152.35 11.67 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.849 2.366 . . . . 0.0 113.075 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.83 168.32 10.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.908 2.406 . . . . 0.0 112.217 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.4 t -132.47 120.89 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.555 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -91.31 143.62 26.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.335 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 84' ' ' VAL . 44.3 m-85 -130.29 157.99 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.639 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.17 154.37 27.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 111.78 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.4 p -127.65 -172.26 2.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.39 3.19 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -146.44 158.99 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.721 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.9 -30.13 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.799 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.08 -51.99 22.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.36 -27.8 66.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.497 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.8 tp -66.63 -56.71 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.024 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.84 -27.42 67.53 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.561 -179.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.481 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -72.61 -58.14 3.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.851 0.358 . . . . 0.0 111.819 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.406 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 19.1 m95 -68.31 -49.15 62.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.497 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.9 m-85 -67.34 -36.08 80.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -65.47 -33.81 76.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 m -68.6 -45.64 71.43 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.99 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.84 -35.56 51.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 74.9 mtt180 -76.36 -29.06 57.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.406 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.8 -18.94 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.517 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' ALA . 84.2 mt -108.3 -31.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 66' ' ' LEU . 72.3 p -99.68 -61.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 111.204 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 33.8 tt0 -147.46 140.94 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.55 -139.61 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -126.13 144.19 50.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -146.89 168.8 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -115.05 143.61 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.1 mtp -137.18 140.31 41.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.699 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -63.29 113.37 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.201 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.53 108.35 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.85 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -82.2 8.03 12.11 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.566 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.7 mt -105.83 -28.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.68 -1.22 12.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.56 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.6 mp0 43.41 61.66 2.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.666 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.67 -171.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.142 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -113.45 108.59 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.528 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.3 p -102.57 167.67 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -100.05 133.51 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -89.17 96.85 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.7 m -84.75 154.15 22.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.804 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -166.79 116.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.367 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -88.28 124.25 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.35 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.04 130.16 51.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.77 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.13 11.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.1 mttt -125.97 173.51 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.5 tp -121.98 117.79 27.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.484 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 p -101.5 109.39 21.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -101.26 142.66 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -88.01 173.54 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.4 p30 -76.88 165.28 24.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.636 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.67 126.81 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.556 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 pt -100.02 -27.85 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.675 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.7 tpt180 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.07 13.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.242 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.29 138.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.5 tp -109.6 100.46 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.384 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.4 m-20 -59.54 100.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -77.72 26.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.178 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 65' ' ' ASP . 16.5 m120 -112.87 -6.34 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.6 p -141.18 58.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -152.88 171.13 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.585 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.7 m-20 -137.33 128.28 27.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.912 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.7 t -95.95 128.79 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 111.314 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -130.55 135.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.71 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -86.32 110.97 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.24 120.11 69.76 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.182 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.564 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 86.2 Cg_endo -79.94 -64.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.872 2.381 . . . . 0.0 113.512 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.564 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 18.4 mt-30 -59.49 -12.61 6.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.09 163.5 6.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.088 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 24.4 ttmm -122.01 160.29 25.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.756 0.312 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 m120 65.99 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.214 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -148.49 12.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -98.4 177.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.329 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.2 p -116.09 -58.82 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.933 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.83 101.99 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.64 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 99' ' ' PHE . 96.6 t -131.94 147.76 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 112.003 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.472 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 10.2 m-85 -127.17 123.97 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.573 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.9 mt -99.35 142.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.181 0.515 . . . . 0.0 112.3 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 71' ' ' VAL . 78.9 mt -104.67 130.4 52.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.291 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.3 mt-10 -116.26 111.22 42.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.838 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 29.5 Cg_endo -60.1 131.2 37.82 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.582 2.188 . . . . 0.0 112.201 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -87.46 11.16 15.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.696 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.1 mm100 -63.88 -67.43 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.86 -67.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.21 23.67 2.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.141 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.597 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -63.19 163.86 16.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.577 0.227 . . . . 0.0 110.824 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 93.9 Cg_endo -76.35 148.44 30.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.888 2.392 . . . . 0.0 113.152 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.22 168.33 7.64 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.941 2.427 . . . . 0.0 112.175 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.77 126.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 78' ' ' LYS . 1.5 mp0 -95.01 144.67 25.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.41 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.4 m-85 -132.34 147.14 52.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.71 153.19 38.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 111.805 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.412 HG21 ' HA ' ' A' ' 107' ' ' LEU . 44.7 p -123.11 -171.66 2.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.866 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.35 -2.17 10.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -144.43 164.61 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 p -78.26 -31.64 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.23 -54.12 12.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.07 -25.48 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.154 0.502 . . . . 0.0 109.87 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HA ' HG21 ' A' ' 101' ' ' THR . 5.5 tp -66.94 -57.52 6.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.29 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.0 t80 -70.5 -33.53 71.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.532 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.86 -57.78 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.418 . . . . 0.0 111.434 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -66.99 -39.15 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.242 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 11.6 m-85 -75.15 -30.43 60.75 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -68.0 -37.11 81.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.6 t -67.8 -45.07 75.84 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.85 -35.67 52.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 79.1 mtt180 -76.42 -28.65 56.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.438 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 113' ' ' SER . 23.8 mt-10 -60.41 -22.29 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.399 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.32 -32.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.717 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.8 p -96.2 -60.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 63.9 t-105 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.074 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -135.7 152.69 51.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.67 -125.32 1.35 Allowed Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.57 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -126.52 163.02 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 111.052 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.84 158.08 22.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -113.63 135.25 54.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.1 mtm -131.12 138.07 49.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -57.96 119.28 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.322 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -102.29 104.57 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 p -78.84 -1.56 35.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -75.71 -44.11 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.49 0.16 10.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 53.66 72.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.478 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.52 175.66 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.13 120.04 40.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.1 p -113.83 168.74 9.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -91.76 127.48 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -123.52 143.61 50.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -97.92 99.93 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.037 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.546 ' HB3' HD11 ' A' ' 40' ' ' LEU . 79.9 m -93.9 166.04 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.692 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.52 115.92 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.652 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.4 mt -88.68 139.67 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.397 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.76 122.03 12.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 64.15 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -150.67 24.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 87.4 mttt -134.35 142.11 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.771 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.7 tp -107.78 117.38 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.158 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -109.63 124.75 51.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -109.58 143.44 39.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.745 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -100.44 171.6 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.002 0.43 . . . . 0.0 111.375 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 20.5 t70 -69.14 165.87 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.742 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -43.08 139.04 1.92 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.556 HG13 ' HG2' ' A' ' 47' ' ' GLU . 42.5 pt -96.53 -5.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.617 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 46' ' ' ILE . 8.1 pt-20 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.317 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.7 mmm180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.16 160.5 34.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.9 mt -143.81 125.47 10.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 0.0 111.534 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.7 mm? -88.99 106.67 18.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.005 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.635 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.0 m-20 -54.07 -23.42 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.57 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 38' ' ' ALA . 80.3 mt 63.95 0.53 0.97 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.261 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.3 m120 -104.79 -3.45 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.19 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -140.75 41.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -149.42 171.17 17.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.022 0.439 . . . . 0.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 90.4 m-20 -142.16 119.15 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.268 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG11 HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -95.16 125.85 47.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.236 0.541 . . . . 0.0 111.266 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -123.87 153.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.105 -179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -95.82 105.02 16.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.49 121.16 70.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -81.0 168.77 16.93 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.967 2.445 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 55.49 21.09 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.32 -144.1 40.3 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.387 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 86' ' ' ILE . 16.3 tppt? -149.22 -45.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -121.13 -79.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -123.97 15.03 9.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -97.84 -176.57 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.348 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -125.47 -30.77 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.941 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 107' ' ' LEU . 27.6 m-85 -126.22 108.23 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.629 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 100' ' ' ALA . 53.1 t -131.87 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.2 m-85 -116.51 161.38 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 72' ' ' VAL . 67.3 mt -136.51 137.36 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 87' ' ' LEU . 31.2 mt -99.67 130.7 45.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 39.8 mt-10 -118.36 107.82 42.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.547 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.9 Cg_endo -55.69 153.53 29.66 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.469 2.113 . . . . 0.0 112.477 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -122.62 2.04 9.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.491 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.5 tp-100 -64.65 -73.36 0.12 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.24 -80.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 34.04 2.67 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.66 159.92 75.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.512 0.196 . . . . 0.0 110.639 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.03 153.99 11.16 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.767 2.311 . . . . 0.0 112.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.43 168.14 14.88 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.831 2.354 . . . . 0.0 112.167 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -137.36 125.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.77 0.319 . . . . 0.0 111.347 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.1 mp0 -94.67 141.28 28.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 84' ' ' VAL . 22.7 m-85 -129.49 156.82 43.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.24 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.39 165.16 33.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.067 0.46 . . . . 0.0 111.883 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 p -136.95 -171.37 2.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.84 5.22 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.38 153.76 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.695 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.99 -31.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.19 -50.16 36.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.59 -33.17 73.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.413 . . . . 0.0 110.061 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.4 tp -64.2 -56.23 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.307 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.44 -27.57 68.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.318 -179.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -72.86 -58.08 3.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -68.48 -48.09 65.36 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -67.78 -30.57 70.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -69.41 -36.39 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -66.22 -50.08 65.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.347 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.408 HG22 HG11 ' A' ' 71' ' ' VAL . 62.6 mt -54.12 -35.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -77.01 -27.93 54.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.721 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 113' ' ' SER . 22.2 mt-10 -57.91 -23.82 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.533 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 117' ' ' ILE . 3.6 mp -93.84 -40.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.671 0.272 . . . . 0.0 111.645 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.5 p -94.18 -65.14 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.3 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.793 0.33 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -144.35 133.8 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.349 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.37 -125.73 1.1 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.714 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -137.5 148.12 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.049 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -148.54 170.44 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -116.05 138.5 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.0 mtp -131.8 139.24 48.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -58.32 120.93 9.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.539 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.8 105.58 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -81.67 8.68 9.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.374 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.35 -43.41 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.029 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.6 1.33 31.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.81 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.3 mp0 45.13 60.77 2.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.884 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -170.86 -178.37 2.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.748 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -104.54 142.11 35.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.4 p -134.13 165.0 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.877 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -93.31 124.06 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -121.72 145.68 47.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.437 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 78.4 t80 -91.57 99.23 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -93.53 160.16 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.674 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.26 114.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.386 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 14' ' ' GLN . 95.3 mt -88.38 108.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.343 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.36 124.85 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.23 -84.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -145.04 6.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.422 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 66.0 mttm -116.11 145.85 42.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.221 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 33' ' ' CYS . 15.4 tp -107.57 116.3 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -105.82 118.13 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 111.212 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -104.29 130.73 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 95.0 p -95.66 177.18 5.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.255 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.02 165.18 24.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -53.46 149.41 7.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.6 pt -110.65 2.3 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.334 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.2 mmp_? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.916 0.388 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.14 157.53 25.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.96 140.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 87' ' ' LEU . 8.9 tp -101.85 99.33 9.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.873 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.0 m-20 -51.52 -29.88 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 38' ' ' ALA . 96.6 mt 55.39 -170.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.474 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 63.93 -2.86 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 66' ' ' LEU . 12.8 t -138.78 15.12 2.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.259 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.39 170.99 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.773 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 92.0 m-20 -134.72 117.14 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.679 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.47 143.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.16 0.505 . . . . 0.0 111.044 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -139.04 120.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.865 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -68.67 104.6 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.14 121.09 75.47 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.685 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.4 151.46 22.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.005 2.47 . . . . 0.0 112.518 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 54.15 21.72 3.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.8 -153.7 19.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.354 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 39.2 ttpt -139.31 -44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' ND2' ' HE3' ' A' ' 78' ' ' LYS . 42.3 m-80 -134.42 104.38 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 57.51 12.94 1.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.326 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -119.51 163.75 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.6 m -122.37 -27.22 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 107' ' ' LEU . 10.2 m-85 -121.64 99.29 6.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.1 t -131.16 146.35 33.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 111.813 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.4 m-85 -125.16 124.42 41.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.479 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 98' ' ' GLU . 74.0 mt -99.44 138.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 111.771 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 64' ' ' LEU . 99.0 mt -102.41 135.31 44.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.442 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.5 mt-10 -123.3 104.14 35.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.449 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.6 Cg_endo -59.28 156.23 36.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.501 2.134 . . . . 0.0 112.514 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 49.0 mtpt -125.69 1.9 7.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.429 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.3 mt-30 -55.71 -57.21 12.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.2 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.54 34.9 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.233 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -71.02 158.5 88.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.562 0.22 . . . . 0.0 110.696 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.49 155.33 16.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.241 . . . . 0.0 112.73 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.41 167.51 19.19 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.679 2.253 . . . . 0.0 112.219 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 t -138.87 121.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.296 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -92.1 145.57 24.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.4 m-85 -132.42 160.62 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.528 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.96 165.12 35.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.758 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -138.02 -179.34 5.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.51 -14.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -142.86 172.6 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 p -78.22 -28.53 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.57 -49.51 58.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.96 -24.5 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.101 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.9 tp -70.23 -56.99 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.012 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.21 -27.51 66.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.475 -179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.448 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.38 -57.85 3.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.915 0.388 . . . . 0.0 111.795 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -70.49 -45.46 65.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.528 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.4 m-85 -70.45 -30.96 67.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -69.93 -37.83 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -68.2 -42.11 80.38 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.11 -33.21 46.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 78.1 mtt180 -76.18 -33.91 59.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.841 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.29 -18.61 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.13 -36.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.521 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.0 p -98.08 -61.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.8 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.104 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 9.2 tt0 -147.27 142.35 27.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.55 -130.01 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.367 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.61 162.13 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.36 155.58 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.59 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -108.9 133.7 52.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.0 111.27 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.9 mtp -127.23 149.66 49.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -64.45 125.34 24.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.506 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -101.97 105.45 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.065 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 t -81.3 8.58 8.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.567 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.3 mt -103.18 -50.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.983 0.42 . . . . 0.0 110.109 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.88 3.29 47.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.0 mp0 44.62 62.16 2.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.48 -174.11 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.911 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -103.34 136.84 42.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.2 p -127.05 166.29 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.873 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -89.88 128.47 36.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -126.94 132.72 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -86.85 95.81 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -86.84 159.24 19.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 112.083 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.15 115.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.065 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.9 mt -88.11 112.73 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.075 0.464 . . . . 0.0 111.598 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.62 124.06 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.697 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 62.99 -84.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -141.02 -5.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.838 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 91.8 mttt -107.46 159.82 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.189 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 33' ' ' CYS . 22.9 tp -108.19 117.65 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -104.84 108.97 20.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -101.1 137.86 38.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 t -95.13 166.99 11.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.477 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 3.9 p30 -64.35 165.26 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -47.95 133.29 14.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG13 ' HG2' ' A' ' 47' ' ' GLU . 34.5 pt -80.57 -23.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.407 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 46' ' ' ILE . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.074 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 31.0 tpt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.964 0.412 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.17 153.45 19.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.33 142.46 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -116.38 100.28 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.335 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 m-20 -56.51 98.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 86.6 mt -76.18 23.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.251 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.0 m120 -113.14 -3.36 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.609 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.6 p -143.0 56.11 1.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -151.01 171.21 17.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.593 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.4 m-80 -136.13 129.36 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.159 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.502 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.8 t -96.14 130.17 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 0.0 111.143 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.51 132.01 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 1.4 tmmt? -80.97 108.67 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 121.17 67.0 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.538 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.81 166.09 19.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.782 2.321 . . . . 0.0 112.797 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 55.65 21.02 4.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.14 -143.72 36.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.298 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HE3' HD11 ' A' ' 86' ' ' ILE . 15.6 tppt? -146.93 -58.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -103.16 -66.87 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -139.58 12.6 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.297 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.21 -173.44 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.208 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 t -124.42 -31.53 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.415 ' HB2' HD13 ' A' ' 107' ' ' LEU . 17.8 m-85 -123.56 106.06 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.951 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 78' ' ' LYS . 56.1 t -129.81 144.1 39.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 111.849 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -125.91 127.49 46.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.531 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG12 ' HG3' ' A' ' 98' ' ' GLU . 77.4 mt -100.0 144.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.165 0.507 . . . . 0.0 112.061 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 71' ' ' VAL . 79.0 mt -107.63 129.96 54.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.335 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.0 mt-10 -114.78 108.85 48.31 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.8 Cg_endo -58.67 153.4 49.61 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.617 2.211 . . . . 0.0 112.777 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' HG2' HD21 ' A' ' 70' ' ' ASN . 49.8 mtpt -123.55 2.34 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.523 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 31.7 mt-30 -58.82 -56.09 26.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -76.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.23 36.59 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -73.16 160.06 83.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.535 0.207 . . . . 0.0 110.782 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.48 154.88 14.02 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.718 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.65 167.83 16.55 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.78 2.32 . . . . 0.0 112.265 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.2 t -137.48 133.15 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.554 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.26 140.55 33.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -128.57 158.69 37.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.326 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.13 156.2 28.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.918 0.39 . . . . 0.0 111.97 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.2 p -124.0 -168.05 1.73 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.728 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -123.14 -3.62 8.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -143.18 171.83 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -45.13 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.224 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.38 -46.21 81.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.39 -35.68 76.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.503 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.6 tp -63.39 -56.01 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.976 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 12.3 m-85 -63.88 -27.05 68.89 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.579 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -75.19 -57.88 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -67.96 -40.25 83.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 15.8 m-85 -75.3 -30.39 60.35 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 12.0 tt0 -66.92 -40.48 87.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 86.6 p -65.84 -48.32 72.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.74 -35.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 75.9 mtt180 -76.59 -30.53 57.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.477 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 28.6 mt-10 -60.83 -20.55 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.415 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.1 mt -108.64 -31.47 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -98.88 -62.06 1.29 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 111.444 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.0 t-105 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.249 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.543 ' HB2' HD12 ' A' ' 35' ' ' ILE . 12.9 mm100 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.48 HE21 ' HB1' ' A' ' 34' ' ' ALA . 42.4 mt-30 -127.69 132.43 49.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 -130.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.38 147.59 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 6.7 mt -146.66 168.89 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.54 115.08 16.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.746 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.1 mtp -111.06 145.16 39.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 45.1 t-105 -64.84 109.62 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.656 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.24 100.76 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t -73.34 0.54 11.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.922 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.8 mm -88.25 -61.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.66 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.09 -5.56 47.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.606 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 7.9 mp0 57.83 72.75 0.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.556 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -170.04 171.17 7.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -94.6 112.31 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -99.9 139.92 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -89.68 121.67 32.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.547 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.48 139.88 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.383 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -76.29 100.24 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.232 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' HD11 ' A' ' 40' ' ' LEU . 52.3 m -84.46 159.8 20.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.48 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -164.9 116.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.561 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 14' ' ' GLN . 90.7 mt -88.28 115.37 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.265 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.32 117.46 34.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.621 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.41 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 117' ' ' ILE . . . -138.89 -23.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.624 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 56.4 mttp -90.01 167.29 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.493 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 33' ' ' CYS . 46.1 tp -116.77 146.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.227 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.414 ' H ' HD12 ' A' ' 40' ' ' LEU . 62.5 p -130.94 115.11 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -101.61 133.31 46.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.725 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -92.05 163.58 13.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -61.71 165.03 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.612 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.27 130.91 27.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 pt -93.86 8.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.939 0.4 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.27 165.86 34.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 73.7 mt -132.97 141.46 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -117.26 93.38 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.195 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.505 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 1.4 p-10 -57.75 104.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -82.62 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -109.67 16.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.9 t -165.26 24.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HD22 ' A' ' 87' ' ' LEU . 9.8 m-85 -114.92 171.46 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.941 0.4 . . . . 0.0 110.787 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.6 m-20 -130.96 126.64 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.174 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HB ' ' HG2' ' A' ' 115' ' ' ARG . 25.1 t -95.93 137.12 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -139.23 123.59 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.882 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -75.58 104.87 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.724 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -79.45 120.81 81.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_endo -81.68 -64.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.101 2.534 . . . . 0.0 113.026 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -52.23 -21.49 3.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.362 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.77 -152.31 17.79 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 14.3 tppt? -151.11 -70.9 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 0.0 111.322 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -121.07 90.21 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.53 13.28 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -104.57 163.74 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.167 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.5 p -108.44 -41.92 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -110.28 109.7 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 78' ' ' LYS . 45.8 t -133.35 148.94 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.588 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 15.4 m-85 -130.35 121.72 26.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.0 mt -99.93 141.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.127 0.489 . . . . 0.0 112.285 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 69' ' ' TYR . 13.2 mt -104.41 133.49 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.0 mt-10 -121.22 109.88 34.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.8 Cg_endo -60.36 157.67 34.78 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.424 2.082 . . . . 0.0 112.495 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 48.9 mtpt -126.31 -1.16 6.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.2 mt-30 -56.63 -59.06 5.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -168.62 -75.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.25 35.27 2.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.282 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.465 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -69.98 160.25 81.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.483 0.182 . . . . 0.0 110.715 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.5 153.95 15.85 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.751 2.301 . . . . 0.0 112.863 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.28 168.12 15.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.73 123.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.245 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 1.2 mp0 -93.64 144.99 24.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.41 159.73 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.29 142.42 15.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.866 0.365 . . . . 0.0 111.76 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -115.23 -169.57 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -114.2 -25.52 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -128.04 169.16 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.3 -32.39 16.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.73 -53.14 36.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.587 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.12 -27.98 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.174 0.511 . . . . 0.0 110.054 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.506 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -67.71 -56.49 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.43 -27.73 68.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.612 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.474 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.1 tp10 -73.82 -58.18 3.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.895 0.378 . . . . 0.0 111.836 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -67.76 -49.07 64.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -67.52 -34.45 77.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.4 tm0? -67.0 -33.14 74.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -70.18 -46.33 64.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.918 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.86 -33.72 42.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HG2' ' HB ' ' A' ' 71' ' ' VAL . 86.4 mtt180 -76.03 -35.65 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.883 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.26 -18.11 24.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.005 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 38' ' ' ALA . 73.5 mt -101.07 -21.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.959 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.2 p -110.23 -58.17 2.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.409 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 6.6 m95 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.745 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 3.8 pt20 -145.1 148.14 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.61 -122.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.587 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.18 147.41 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.386 . . . . 0.0 111.133 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -151.25 165.49 33.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -116.37 123.85 48.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.32 146.99 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -60.05 129.42 41.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.303 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -112.06 100.44 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.49 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 p -72.03 -8.81 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -59.86 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -104.47 0.49 28.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.282 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.24 69.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -171.4 178.72 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.696 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -100.16 141.55 32.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 111.08 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -132.43 166.98 20.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -97.05 120.96 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.215 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -121.1 159.18 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.259 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -107.44 99.72 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.647 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 40' ' ' LEU . 74.2 m -90.85 167.04 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.277 0.56 . . . . 0.0 111.889 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -168.09 118.06 0.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.32 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.37 122.72 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.08 121.1 39.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 64.34 -81.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.253 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -149.8 25.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.443 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.3 mttt -133.76 149.2 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.112 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 33' ' ' CYS . 42.8 tp -107.63 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.403 ' HB3' HG12 ' A' ' 63' ' ' ILE . 22.3 p -108.31 129.02 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 111.223 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -113.39 133.69 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.568 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -96.12 177.11 5.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.959 0.409 . . . . 0.0 111.361 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.543 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.0 p-10 -73.11 165.46 24.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.78 139.62 9.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.823 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -92.54 -25.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 32.0 mmt180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.76 160.47 9.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 41' ' ' SER . 80.3 mt -142.64 125.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.8 mm? -93.72 95.34 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.139 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -63.39 98.14 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 64' ' ' LEU . 3.7 mm? -50.61 -39.54 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.871 0.367 . . . . 0.0 111.246 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -59.19 -1.14 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.199 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' ' 66' ' ' LEU . 17.0 p -145.27 35.55 1.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -147.46 171.09 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 111.078 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.1 m-80 -132.17 168.99 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.842 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.38 137.19 57.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.17 121.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.872 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 6.0 tmmm? -75.46 104.85 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.707 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -72.63 120.94 83.44 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.959 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' H ' ' A' ' 76' ' ' GLN . 71.4 Cg_exo -48.02 -94.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.215 2.61 . . . . 0.0 113.798 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 75' ' ' PRO . 61.5 tt0 -93.29 64.96 3.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 111.176 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 47.92 -154.85 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.816 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 38.3 ttpt -146.44 -64.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.01 -76.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -139.69 9.65 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.427 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -94.04 176.45 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.265 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.2 p -123.65 -21.05 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.299 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.59 103.3 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.411 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 53.7 t -128.71 155.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.5 m-85 -135.97 120.0 17.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.142 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 63.2 mt -99.85 139.72 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.141 0.496 . . . . 0.0 112.321 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 41.2 mt -98.22 134.45 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.055 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.2 mt-10 -119.47 109.89 37.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.008 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.11 158.68 20.88 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.73 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG2' HD21 ' A' ' 70' ' ' ASN . 52.2 mtpt -125.68 -0.2 7.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.475 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.54 -62.17 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.03 -89.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.34 21.91 6.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.063 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.34 158.54 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.27 154.1 14.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.713 2.276 . . . . 0.0 112.871 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.05 168.13 13.77 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.803 2.336 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 64' ' ' LEU . 39.5 t -133.22 130.76 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.025 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -98.96 141.39 31.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.958 0.408 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' O ' HG13 ' A' ' 84' ' ' VAL . 33.9 m-85 -129.34 159.92 34.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.374 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.2 161.28 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 0.0 111.82 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -133.53 -174.04 3.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.728 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -119.01 0.02 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -144.97 161.65 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -78.43 -31.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.25 -51.78 28.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.663 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.92 -29.4 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.501 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.1 tp -63.55 -56.66 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -64.29 -40.47 96.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.552 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.8 -58.53 7.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.47 -49.39 60.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.501 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.7 m-85 -68.15 -30.53 69.67 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.31 -33.82 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.8 t -68.99 -44.4 72.92 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.155 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 66' ' ' LEU . 59.2 mt -59.72 -36.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 71.7 mtt180 -76.66 -28.31 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.371 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 113' ' ' SER . 17.6 mt-10 -56.63 -18.29 11.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.932 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -108.95 -24.24 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.986 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.4 p -123.65 26.66 7.66 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.507 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 66.6 t-105 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.589 0.233 . . . . 0.0 111.247 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -138.06 147.23 43.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.25 -130.5 1.98 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -124.36 153.29 42.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 mt -150.41 174.42 12.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -131.02 139.51 49.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mtp -132.15 151.73 51.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.609 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.0 t-105 -73.05 106.92 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.501 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -79.48 100.89 7.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -73.72 2.23 8.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.961 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.1 -61.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.529 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -94.68 -5.08 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.157 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.609 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 mp0 57.74 73.42 0.47 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.588 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -168.26 -175.5 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.727 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -111.7 110.59 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 146.54 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.15 121.52 31.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -126.82 139.72 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -77.44 106.62 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.33 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 34.7 m -91.98 157.56 16.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 111.682 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.41 114.64 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.328 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.65 116.98 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.6 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.99 120.28 40.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.723 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.65 -81.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -145.84 5.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.547 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -117.17 162.03 18.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.308 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 19.5 tp -125.79 117.28 23.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 p -104.3 117.86 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -100.31 126.02 46.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -87.69 174.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.027 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -62.21 163.36 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.98 132.65 54.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 pt -87.07 6.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 169.93 161.75 20.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -135.2 142.75 39.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.218 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 87' ' ' LEU . 8.0 tp -106.91 104.4 14.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.2 m-20 -49.91 -32.72 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 117' ' ' ILE . 86.0 mt 55.72 14.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -107.04 -12.48 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.1 p -139.26 67.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.26 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -153.89 171.12 19.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.8 m-20 -136.95 129.35 29.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.9 t -95.88 125.89 48.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 111.184 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -132.19 123.72 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.017 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -72.44 104.83 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.4 120.91 73.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.0 Cg_exo -80.05 154.14 22.33 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.016 2.478 . . . . 0.0 112.652 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 54.36 19.99 2.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.63 -146.09 44.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.291 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -154.66 -36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.767 0.318 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -135.69 94.79 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 56.79 17.98 3.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -120.35 168.11 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.6 p -122.07 -38.68 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.331 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -110.62 98.89 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.048 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 99' ' ' PHE . 47.1 t -130.01 145.39 35.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.908 0.385 . . . . 0.0 111.848 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.7 m-85 -126.17 125.4 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.552 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' ' 98' ' ' GLU . 78.5 mt -99.76 140.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.267 0.556 . . . . 0.0 112.232 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD21 ' A' ' 64' ' ' LEU . 85.8 mt -104.42 128.76 52.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.321 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.1 mt-10 -114.47 112.4 46.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.727 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 28.9 Cg_endo -59.22 128.97 29.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.506 2.137 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -81.45 9.37 7.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.67 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 26.3 mm-40 -65.86 -74.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.711 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.85 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.775 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -121.2 17.46 9.09 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.813 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -54.01 162.21 1.55 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.025 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 72.7 Cg_endo -73.78 147.52 39.78 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.992 2.461 . . . . 0.0 113.116 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -87.39 168.25 7.46 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.998 2.466 . . . . 0.0 112.082 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.24 124.34 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.97 145.85 24.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.29 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 84' ' ' VAL . 31.9 m-85 -132.97 156.68 46.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.234 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.45 166.78 32.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 111.776 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.3 p -140.38 -174.31 3.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.846 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.47 6.66 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -146.23 161.44 40.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -41.26 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.54 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.52 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.8 tp -63.63 -56.47 15.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.54 -39.65 91.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.409 -179.091 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.81 -57.92 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.987 0.422 . . . . 0.0 111.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -68.46 -49.1 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 12.3 m-85 -67.62 -30.75 70.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.41 -36.28 76.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.997 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.21 -34.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 13.5 mtt180 -76.39 -30.98 57.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.942 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 113' ' ' SER . 25.3 mt-10 -57.55 -18.75 21.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.033 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 66' ' ' LEU . 61.5 mt -109.05 -29.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.7 p -115.19 20.13 15.15 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.5 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 76.5 t-105 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.184 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 29.3 tt0 -135.02 142.49 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.03 -136.58 3.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -120.1 160.81 22.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -162.92 176.01 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.709 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -128.08 145.57 50.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE3' ' HB2' ' A' ' 20' ' ' MET . 48.3 mtm -137.02 134.17 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -60.06 120.32 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.347 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -108.45 105.82 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.389 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 p -78.75 -0.67 31.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.05 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -34.79 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.551 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 9.4 m-20 -127.9 0.09 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.904 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 51.11 70.0 0.58 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.176 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HZ3' ' HB3' ' A' ' 25' ' ' ASP . 3.8 ptpp? -164.31 176.4 9.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.259 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -112.85 111.05 21.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.672 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 p -102.08 158.69 15.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.8 121.9 40.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -119.3 160.16 22.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 60.2 t80 -98.37 95.46 7.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 40' ' ' LEU . 94.4 m -84.79 158.9 20.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 0.0 111.884 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.64 121.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.313 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -88.29 117.2 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 111.282 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.822 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.85 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 117' ' ' ILE . . . -137.5 -18.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.738 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 54.9 mttp -95.25 173.87 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.1 tp -126.77 117.65 23.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -100.28 120.7 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -99.88 135.01 41.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 42.8 t -96.62 176.72 5.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.383 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -76.92 165.81 24.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.75 145.64 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.84 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -112.01 8.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.292 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 23.9 mmm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.4 166.84 18.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.56 137.45 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 ' HG ' ' A' ' 87' ' ' LEU . 18.7 tp -105.41 100.7 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.343 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -64.98 80.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 117' ' ' ILE . 72.1 mt -50.48 -20.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.548 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -66.33 -39.13 89.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 p -105.32 43.79 1.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 19.2 m-85 -146.35 168.08 21.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.548 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 84.7 m-20 -132.81 136.29 46.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.391 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.51 131.86 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 111.792 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.37 120.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HZ3' ' HZ ' ' A' ' 85' ' ' PHE . 20.2 ttmm -75.81 104.84 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 120.39 79.15 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.384 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 77' ' ' GLY . 56.6 Cg_endo -84.89 -42.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.932 2.421 . . . . 0.0 113.225 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.59 25.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.894 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 56.65 -151.58 24.25 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.663 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 15.0 tppt? -151.37 -48.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.539 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 50.0 m-80 -152.49 99.14 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.676 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 59.39 12.27 2.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.0 167.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -118.32 -34.67 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.231 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -115.96 106.41 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 100' ' ' ALA . 41.9 t -136.45 146.71 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 111.717 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -123.08 155.81 36.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.506 ' HB ' HG23 ' A' ' 72' ' ' VAL . 52.8 mt -134.5 133.48 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.671 ' HG ' HD21 ' A' ' 64' ' ' LEU . 3.9 mm? -93.66 127.63 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.526 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.3 mt-10 -111.29 110.38 56.04 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.521 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.29 126.05 16.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.442 2.095 . . . . 0.0 112.541 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -84.3 12.47 6.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.0 mm100 -61.34 -71.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.85 27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.116 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.92 12.51 23.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.016 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.591 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -51.13 163.68 0.51 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 29.5 Cg_endo -60.68 142.25 97.3 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.012 2.475 . . . . 0.0 112.951 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.74 168.39 7.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.093 2.529 . . . . 0.0 112.333 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.91 133.64 65.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.663 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 2.0 mp0 -101.25 142.99 31.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.12 0.486 . . . . 0.0 111.738 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -132.29 156.7 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.151 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.18 154.59 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 0.0 111.663 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.0 p -119.77 -169.92 1.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -114.28 -21.08 10.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -130.63 169.31 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.26 -30.47 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.06 -54.04 14.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.16 -25.09 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.498 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.6 tp -68.54 -56.5 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.81 -27.6 67.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.526 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -70.77 -57.8 4.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.937 0.398 . . . . 0.0 111.643 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -69.84 -47.9 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 32.0 m-85 -67.39 -31.0 70.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.8 tm0? -69.88 -35.65 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 35.7 t -66.32 -48.3 70.76 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.927 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.611 HG23 HD22 ' A' ' 66' ' ' LEU . 48.8 mt -54.56 -34.23 28.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 83.6 mtt180 -76.65 -29.38 56.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.47 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 113' ' ' SER . 27.4 mt-10 -59.28 -20.17 52.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.509 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.8 mp -91.71 -44.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -100.64 -60.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.596 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 76.0 t-105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.354 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -134.22 139.35 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.714 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.65 0.75 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -139.48 148.35 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.406 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 mt -149.02 178.83 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.674 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.98 143.32 50.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.026 0.441 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mtp -130.1 154.31 47.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.791 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -78.66 132.12 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -117.99 101.59 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.355 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 p -73.79 -5.89 43.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.0 -51.45 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.21 -0.33 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.215 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 55.09 69.76 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.66 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -167.74 176.06 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.735 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -105.46 131.05 53.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 59.5 p -113.49 144.06 43.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -88.44 121.68 31.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.754 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.7 134.77 47.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -74.04 104.27 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.322 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' HB3' HD11 ' A' ' 40' ' ' LEU . 60.0 m -84.82 157.43 20.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.142 0.496 . . . . 0.0 111.62 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.36 114.58 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.285 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.5 107.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.514 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.19 120.14 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.713 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 63.71 -84.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.79 -10.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 94.9 mttt -106.26 146.54 30.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.96 0.41 . . . . 0.0 111.579 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.6 tp -107.64 116.83 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.186 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 m -109.25 116.55 32.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 111.317 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -98.92 138.65 35.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -89.33 173.48 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.14 165.8 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 3.8 m-20 -46.1 141.9 3.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 pt -108.74 3.76 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.842 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.874 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.96 163.93 37.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -133.68 143.76 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 87' ' ' LEU . 7.8 tp -112.91 105.6 13.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.074 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.4 p30 -47.1 -39.62 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.7 mt 61.54 5.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -101.59 -12.2 18.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.922 0.392 . . . . 0.0 110.47 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 89' ' ' PRO . 80.4 p -138.92 69.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -155.8 170.38 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.048 0.451 . . . . 0.0 110.965 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 52.7 m-80 -137.25 129.83 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.84 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -95.89 126.11 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -133.4 120.93 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.888 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.82 104.79 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.44 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.45 121.07 73.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 4.2 Cg_exo -80.68 157.2 21.5 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.986 2.457 . . . . 0.0 112.465 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 55.33 18.03 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.38 -148.33 44.16 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.247 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -153.62 -34.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.726 0.298 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -141.17 97.02 3.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.957 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 56.54 18.98 3.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 67.6 mmtt -123.09 167.84 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -121.02 -38.57 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -111.45 100.99 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.044 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 99' ' ' PHE . 57.3 t -131.57 144.47 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.799 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.515 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.1 m-85 -123.76 127.79 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.596 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.581 HG12 ' HG3' ' A' ' 98' ' ' GLU . 80.2 mt -100.84 138.81 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.206 0.527 . . . . 0.0 112.141 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 64' ' ' LEU . 77.9 mt -104.52 126.56 51.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.401 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.4 mt-10 -112.21 105.83 56.19 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.55 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 26.4 Cg_endo -60.38 140.18 90.38 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.593 2.195 . . . . 0.0 112.745 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG2' HD21 ' A' ' 70' ' ' ASN . 46.3 mtpt -103.59 8.96 37.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.32 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 92' ' ' GLN . 8.7 tt0 -65.36 -57.4 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 10.6 pt20 -177.18 67.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.276 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.38 9.83 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.81 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 2.0 m-20 -45.73 161.16 0.26 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.448 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 30.0 Cg_endo -61.06 146.56 97.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.001 2.468 . . . . 0.0 112.772 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -85.75 168.16 9.68 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.793 2.328 . . . . 0.0 112.282 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 t -134.4 124.91 46.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.581 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -93.21 147.82 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.3 m-85 -134.49 155.31 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -150.27 166.44 29.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 111.849 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 p -139.57 -169.76 2.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.748 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.32 0.7 6.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -144.21 166.25 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.36 -40.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.277 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.92 -47.14 72.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.08 -33.26 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.092 0.473 . . . . 0.0 110.003 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.76 -56.19 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.367 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 3.4 m-85 -63.96 -27.77 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.822 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -76.96 -58.07 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -68.05 -40.4 82.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.9 m-85 -75.23 -32.32 61.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.15 -29.11 65.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.1 m -74.0 -51.19 16.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.307 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.9 -40.12 34.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 45.6 ttt180 -68.97 -40.95 78.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.759 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 -17.8 14.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 mt -106.01 -21.36 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.877 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -111.27 7.27 21.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.007 0.432 . . . . 0.0 111.189 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 5.7 m95 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.756 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.651 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.4 mm100 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.824 0.345 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.476 HE21 ' HB1' ' A' ' 34' ' ' ALA . 41.8 mt-30 -125.55 131.81 52.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.9 -133.37 2.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.06 135.91 46.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.81 165.1 27.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -112.49 137.82 50.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.5 mtp -131.38 146.73 52.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.704 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -65.93 125.93 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.501 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.59 94.44 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.3 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 t -70.65 -6.77 39.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.213 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.0 -41.29 92.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.426 0.632 . . . . 0.0 109.537 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.94 -0.01 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.085 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 52.57 74.03 0.31 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.815 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -169.71 175.92 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.882 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -102.8 125.81 49.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.67 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.3 p -119.46 164.59 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -95.61 130.72 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.71 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -129.29 151.4 49.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 78.8 t80 -95.68 95.88 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.807 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.9 m -87.14 161.2 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.246 0.546 . . . . 0.0 111.654 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.86 117.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.305 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 14' ' ' GLN . 73.6 mt -88.41 109.65 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 111.386 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.02 127.04 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.65 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -139.39 -5.14 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.641 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.3 mttm -107.61 152.8 23.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.8 tp -107.57 116.33 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 117.53 34.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.796 0.332 . . . . 0.0 111.25 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.89 135.68 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 44.2 t -95.67 162.53 13.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.295 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.578 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -65.85 165.49 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.781 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -48.67 152.71 0.92 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -115.3 -23.3 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.483 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.153 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.4 tpt180 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.0 0.428 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.91 153.3 22.44 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.179 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.6 143.63 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 111.372 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -115.71 93.0 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.175 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -55.16 98.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.507 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 64' ' ' LEU . 79.7 mt -74.14 22.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.495 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.7 m120 -107.24 -13.16 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.3 p -138.97 63.03 1.52 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.594 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.9 171.51 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.1 m-20 -137.51 131.24 31.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.9 t -96.35 129.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.399 . . . . 0.0 111.404 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -134.74 120.78 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.865 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -74.99 105.05 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.17 121.21 76.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.572 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.4 158.5 29.3 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.787 2.325 . . . . 0.0 112.778 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 58.73 11.03 1.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.05 -172.94 4.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.536 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 40.6 ttmt -136.71 151.94 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.558 0.218 . . . . 0.0 110.548 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 67.98 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -143.37 17.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -104.99 174.99 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.4 p -120.46 -26.21 5.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.155 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -127.12 101.91 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.572 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.6 t -130.04 147.49 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.1 m-85 -123.81 151.28 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.989 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 69.6 mt -128.27 134.93 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.236 0.541 . . . . 0.0 112.335 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 64' ' ' LEU . 31.4 mt -97.82 126.79 43.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.492 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.1 mt-10 -113.59 110.56 49.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.514 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -56.08 149.36 53.7 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.58 2.187 . . . . 0.0 112.764 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -116.46 3.49 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.397 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 34.7 mt-30 -66.61 -64.05 0.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -159.9 -91.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.69 21.98 7.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.073 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.55 159.17 2.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.553 0.216 . . . . 0.0 110.801 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.02 153.31 16.79 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.692 2.261 . . . . 0.0 112.962 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.92 168.18 12.38 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.895 2.396 . . . . 0.0 112.242 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.08 127.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -96.28 143.65 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -130.86 162.76 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.04 155.25 27.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 111.8 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -130.35 179.3 6.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.797 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -115.57 5.58 14.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.86 155.98 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 p -77.95 -30.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.07 -51.62 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.46 -27.32 65.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.046 0.45 . . . . 0.0 109.999 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.513 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.4 -56.85 9.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.568 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.503 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.92 -27.46 66.65 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.155 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.63 -58.15 3.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.813 0.339 . . . . 0.0 111.903 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.513 ' HE2' HD12 ' A' ' 107' ' ' LEU . 36.8 m-85 -66.22 -45.88 79.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 7.5 tp60 -58.75 -38.15 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.859 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 t -66.82 -48.71 68.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.84 -34.98 20.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.532 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 41.9 ttt180 -75.73 -37.69 59.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.809 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 37.2 mt-10 -60.51 -18.14 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.205 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -21.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.194 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -102.85 -57.15 2.1 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.532 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 3.2 m95 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.709 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.658 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.5 mm100 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.886 0.374 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.05 135.51 47.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.533 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.13 -135.32 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.725 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -128.0 136.18 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.016 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 mt -135.43 161.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -104.42 139.33 39.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.6 mtp -136.44 138.26 41.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.21 126.8 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.18 103.62 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.294 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.3 p -77.34 -2.65 36.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.438 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.61 -46.68 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.438 . . . . 0.0 110.337 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.5 -0.19 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.052 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 54.8 72.46 0.47 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -171.46 176.96 3.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.848 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -105.52 131.88 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -125.26 168.21 13.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -95.63 124.01 39.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.697 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -120.36 144.89 47.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.74 96.27 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' HD11 ' A' ' 40' ' ' LEU . 10.2 p -106.85 167.1 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 0.0 111.832 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.39 131.44 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.1 mt -88.66 109.42 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 111.403 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 119.6 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.69 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.18 -83.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -138.93 -14.73 1.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.805 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.6 mttp -97.17 148.75 22.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.042 0.448 . . . . 0.0 111.834 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 33' ' ' CYS . 38.0 tp -109.98 117.16 33.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.758 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -110.27 122.18 47.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.0 p90 -108.05 143.8 36.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -97.8 175.8 6.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.41 165.38 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -51.19 147.61 5.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 pt -113.33 1.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.51 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.021 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.6 mmp_? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.0 157.69 17.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -141.16 125.47 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.639 0.257 . . . . 0.0 111.373 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.2 mm? -87.67 109.08 19.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.2 m-20 -49.3 -26.79 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 38' ' ' ALA . 76.6 mt 56.14 14.2 1.42 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -110.29 -12.89 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.1 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.3 p -142.23 64.95 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -151.08 171.33 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.625 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 55.3 m-80 -135.65 129.25 32.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.101 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.6 t -96.35 133.11 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.218 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -138.46 120.61 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.05 104.66 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.793 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -70.87 120.53 79.79 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 11.2 Cg_exo -71.2 -66.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.936 2.424 . . . . 0.0 112.924 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.63 30.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.889 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.49 -146.07 26.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.138 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' ' 86' ' ' ILE . 15.4 mtpp -155.87 -44.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.677 0.275 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -140.2 98.5 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.323 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 53.86 18.74 1.69 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.422 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 70.4 mmtt -120.98 160.69 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.223 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -112.3 -48.22 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.208 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -101.32 100.73 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.956 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.8 t -126.09 154.88 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.478 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 28.3 m-85 -136.17 129.68 32.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.241 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.587 HD11 ' HD2' ' A' ' 78' ' ' LYS . 43.6 mt -110.79 136.21 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 71' ' ' VAL . 47.2 mt -99.44 125.97 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.572 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.3 mt-10 -112.18 106.5 56.09 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.48 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.6 Cg_endo -57.09 154.54 33.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.929 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HG2' HD21 ' A' ' 70' ' ' ASN . 50.9 mtpt -126.82 1.4 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.452 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 57.9 tt0 -62.11 -56.88 14.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -166.37 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -134.97 29.04 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.202 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -61.91 159.68 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.58 0.229 . . . . 0.0 110.654 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 81.5 Cg_endo -86.85 143.66 7.1 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.809 2.339 . . . . 0.0 112.956 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.8 Cg_exo -70.66 167.37 25.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.818 2.345 . . . . 0.0 111.829 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.7 t -139.74 126.01 22.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.773 0.32 . . . . 0.0 111.353 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.67 143.26 26.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -130.24 161.36 31.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.635 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -159.08 163.34 36.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 111.574 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.7 p -140.93 -170.44 3.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.9 3.62 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 2.7 mmp_? -145.87 151.03 37.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.008 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.92 -28.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -70.75 -53.01 17.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.15 -29.66 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.45 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -67.61 -56.74 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.766 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -66.48 -27.64 67.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.537 -179.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.56 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -68.54 -49.54 58.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.531 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.4 m-85 -67.04 -41.55 86.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 21.6 tp60 -61.52 -35.71 78.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 64.8 m -68.1 -43.51 78.31 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.894 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.09 -33.96 47.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -76.44 -33.38 58.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.98 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 29.7 mt-10 -57.79 -19.26 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.218 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.454 HD12 HD13 ' A' ' 66' ' ' LEU . 61.4 mt -108.83 -30.91 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.548 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.8 p -107.34 23.73 13.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.783 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 49.9 t-105 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.652 0.263 . . . . 0.0 111.191 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -139.91 142.21 36.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.37 -129.3 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.636 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.85 160.03 39.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -161.12 159.06 28.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -109.48 135.36 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -132.24 139.89 48.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.708 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 44.2 t-105 -55.09 108.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.701 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.09 99.34 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -73.11 0.18 12.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.969 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.16 -62.02 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -93.98 -5.57 47.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.602 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.4 mp0 57.76 72.87 0.49 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.446 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -171.27 169.6 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -96.99 133.1 42.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -135.99 163.29 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -95.2 129.35 42.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.61 156.8 41.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -97.96 100.1 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.2 m -93.02 163.18 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.081 0.467 . . . . 0.0 111.799 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.77 123.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.79 123.54 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.384 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.02 138.49 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.115 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.25 45.25 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . 60.93 15.27 5.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.378 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.7 mttt -123.78 171.65 9.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 33' ' ' CYS . 35.3 tp -131.0 117.33 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.767 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -105.87 126.22 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -111.46 133.73 53.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -87.93 177.1 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.315 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.41 165.82 16.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.679 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -43.38 117.05 1.03 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' GLU . 41.8 pt -85.14 -36.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . 10.0 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.5 tpm_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.119 0.485 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.03 155.93 12.79 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 34.3 mt -138.42 141.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 111.705 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.4 mm? -99.92 111.57 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.92 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.521 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.3 m-20 -51.42 -27.23 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' O ' HG22 ' A' ' 118' ' ' THR . 94.4 mt 60.63 5.04 0.83 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.296 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.21 -8.44 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 62.1 p -141.76 57.14 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -150.52 171.42 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 53.1 m-80 -137.26 131.05 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.256 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 87' ' ' LEU . 33.7 t -96.14 134.91 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -137.59 120.79 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -74.76 104.48 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.569 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -76.36 120.58 82.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.194 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.3 Cg_exo -78.04 -70.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.023 2.482 . . . . 0.0 112.745 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.04 -15.14 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.1 161.25 6.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.237 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' ' HG2' ' A' ' 98' ' ' GLU . 14.1 ttpp -116.92 165.36 13.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.761 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 62.75 -92.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.254 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.446 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.6 OUTLIER -144.0 9.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.929 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -98.19 173.54 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -112.95 -61.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.27 98.45 11.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.751 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 90.0 t -125.15 154.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 111.684 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 19.7 m-85 -134.44 119.44 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 45.0 mt -100.0 139.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 71' ' ' VAL . 36.3 mt -101.53 130.04 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.203 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.1 mt-10 -115.12 107.3 50.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.695 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.8 Cg_endo -57.76 153.17 44.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.589 2.193 . . . . 0.0 112.731 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG2' HD21 ' A' ' 70' ' ' ASN . 50.4 mtpt -120.79 0.45 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.343 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.85 -63.1 1.42 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.52 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.12 21.89 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.965 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.27 158.0 2.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 88.2 Cg_endo -85.92 143.1 8.01 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.941 2.427 . . . . 0.0 112.84 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 11.8 Cg_exo -71.23 168.08 24.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.779 2.319 . . . . 0.0 111.952 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.08 127.04 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.5 mp0 -95.53 142.29 28.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 111.244 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.51 147.62 52.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.508 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.86 151.27 34.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.949 0.404 . . . . 0.0 111.762 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.8 p -121.6 -169.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.827 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.83 2.55 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -145.06 162.28 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.17 -32.94 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.98 -50.65 32.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.78 -28.64 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.3 tp -67.86 -56.41 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.953 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -66.63 -27.62 67.84 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.59 -179.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.26 -57.99 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 111.867 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -68.75 -46.41 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 30.3 m-85 -70.44 -31.0 67.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.12 -33.23 71.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 m -68.33 -45.27 73.36 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.014 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.2 -35.35 57.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-O 121.258 0.551 . . . . 0.0 109.525 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.9 mtt180 -76.13 -27.96 57.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.214 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.84 -18.82 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.233 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.7 mt -108.2 -31.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.402 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' LEU . 77.5 p -98.15 -61.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.481 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 57.1 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.548 ' HB2' HD12 ' A' ' 35' ' ' ILE . 13.8 mm100 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.936 0.398 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 51.4 tt0 -169.14 137.75 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 167.79 -132.9 2.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.96 136.63 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -138.02 166.36 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -110.36 140.83 44.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.2 mtp -138.01 136.91 37.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -56.24 122.11 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.449 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -104.95 102.1 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.38 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 p -76.25 -3.51 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.88 -50.94 29.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.44 0.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.079 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 54.37 72.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.77 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HE2' HG22 ' A' ' 29' ' ' THR . 24.6 pttm -171.73 176.44 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -106.26 116.32 31.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 27' ' ' LYS . 30.3 p -110.37 169.25 8.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -90.47 125.52 35.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -122.54 154.28 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -107.43 99.1 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.663 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -92.13 166.23 12.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.536 . . . . 0.0 111.936 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -171.86 119.77 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.269 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 14' ' ' GLN . 86.2 mt -88.57 114.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.098 0.475 . . . . 0.0 111.651 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.43 39.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.768 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 59.59 46.5 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.215 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 61.22 14.1 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.9 mttt -119.87 145.57 46.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 111.468 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.9 tp -107.87 116.98 32.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -112.68 120.39 41.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.242 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -105.87 130.88 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -87.78 162.39 17.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.7 165.61 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.62 133.35 3.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.3 pt -98.78 -35.13 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.98 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.954 0.407 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.57 161.06 34.81 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.066 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.75 135.74 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.582 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.4 mm? -103.17 108.96 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.871 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -49.22 -30.59 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.687 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.0 mt 62.08 4.78 1.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.54 -12.63 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.0 p -141.18 62.64 1.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.059 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -150.78 171.64 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 87' ' ' LEU . 70.1 t -96.15 134.66 32.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.77 120.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.839 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.18 104.56 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.625 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.43 119.88 78.68 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.546 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 91.2 Cg_endo -80.82 -63.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.789 2.326 . . . . 0.0 113.415 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.546 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 66.4 mt-30 -60.14 -10.68 4.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.1 51.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.108 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HD2' HD11 ' A' ' 86' ' ' ILE . 45.1 mtpt -141.8 149.87 40.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 111.09 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.28 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.176 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -146.67 13.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.97 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -101.96 166.97 10.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.9 m -106.14 -56.17 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.048 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.41 105.14 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.781 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 79.4 t -127.5 153.97 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.883 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 24.3 m-85 -135.21 126.09 27.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 78' ' ' LYS . 48.0 mt -107.57 137.92 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 71' ' ' VAL . 42.7 mt -99.43 128.32 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.285 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 41.6 mt-10 -114.56 108.14 49.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.625 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 16.2 Cg_endo -55.78 150.53 44.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.409 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -118.24 3.43 11.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.416 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.0 mt-30 -64.76 -61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -162.13 -91.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.68 22.13 7.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.963 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -54.42 158.44 4.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.613 0.244 . . . . 0.0 110.759 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.98 153.92 17.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.752 2.302 . . . . 0.0 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.85 168.23 9.52 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.968 2.445 . . . . 0.0 112.29 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -135.32 133.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -100.99 140.56 35.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' HG13 ' A' ' 84' ' ' VAL . 40.6 m-85 -129.28 158.41 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.54 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.03 153.23 23.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -121.74 -169.46 1.87 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -120.66 -10.6 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -138.55 166.69 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.0 -32.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.4 -49.39 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.17 -28.73 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.2 tp -67.19 -56.67 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.0 -27.54 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.566 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.463 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -73.55 -58.32 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.861 0.363 . . . . 0.0 111.836 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.416 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 23.5 m95 -67.64 -49.22 64.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.524 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.1 m-85 -66.44 -41.39 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.9 tm0? -59.83 -36.14 76.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -66.5 -43.97 83.86 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.921 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.61 -33.23 48.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 11.3 mtt180 -76.41 -29.99 57.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.019 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 113' ' ' SER . 31.2 mt-10 -63.03 -18.72 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.399 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 38' ' ' ALA . 65.5 mt -107.85 -30.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.599 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.6 p -101.35 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.3 t-105 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.486 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 1.4 mm-40 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.94 0.4 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 61.5 tt0 -167.08 137.36 3.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.64 -143.85 8.0 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.38 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.6 143.92 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.59 173.65 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -126.39 138.55 53.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -134.83 147.61 49.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.648 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -64.97 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.68 104.07 10.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.447 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.8 p -74.51 -6.02 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.179 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mm -71.25 -49.15 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.43 1.92 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.099 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 51.05 68.19 0.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -166.51 178.84 5.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.992 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -106.11 113.25 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.766 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 80.4 p -99.93 163.54 12.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -104.81 121.77 44.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.61 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 135.76 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -73.84 96.75 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.182 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' HD11 ' A' ' 40' ' ' LEU . 71.6 m -85.67 159.92 19.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.448 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.39 125.06 1.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.9 mt -88.79 106.65 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.19 41.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.846 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.29 -83.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.29 2.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.585 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.0 mttt -115.69 150.48 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 111.444 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.7 tp -107.77 117.52 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.075 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -114.58 124.34 51.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 111.366 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -109.44 131.87 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.537 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -87.89 171.76 10.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.244 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.5 165.44 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 4.5 m-20 -45.25 138.56 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -99.96 11.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.398 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.43 153.51 24.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.126 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mt -142.43 137.64 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 111.593 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -98.31 113.28 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.931 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.0 m-20 -49.16 -34.33 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.2 mt 60.97 5.12 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.381 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -97.8 -19.35 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.05 0.452 . . . . 0.0 110.144 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.2 p -139.59 70.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.21 171.44 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.5 m-20 -138.9 130.9 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.264 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.0 t -95.99 129.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 0.0 111.138 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.9 OUTLIER -135.85 120.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.968 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.33 104.73 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.36 121.34 75.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.48 153.32 23.7 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.923 2.415 . . . . 0.0 112.597 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.24 23.23 4.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.94 -141.77 48.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.305 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -154.45 -39.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.73 0.3 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.19 -81.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -129.9 9.7 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -97.35 -174.34 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.192 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.0 m -131.16 -35.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.07 96.25 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.661 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 100' ' ' ALA . 40.2 t -125.75 146.29 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 112.047 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 18.5 m-85 -123.24 139.56 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.009 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 67.2 mt -116.43 137.49 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 112.474 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.2 mt -99.74 128.17 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.485 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.3 mt-10 -115.38 109.13 46.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.496 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.4 Cg_endo -54.42 153.08 23.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.54 2.16 . . . . 0.0 112.595 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -120.92 1.44 10.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.495 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.2 tp-100 -64.06 -63.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.45 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.596 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.36 37.99 2.09 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.552 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -75.7 159.5 81.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.523 0.201 . . . . 0.0 110.595 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.19 153.22 16.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.686 2.257 . . . . 0.0 112.93 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.51 168.23 13.0 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.755 2.303 . . . . 0.0 112.211 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.6 t -139.51 133.54 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 0.0 111.47 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.3 mp0 -102.5 143.01 32.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.234 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 84' ' ' VAL . 38.0 m-85 -130.97 158.97 38.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 153.73 24.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.987 0.422 . . . . 0.0 111.9 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -121.31 -169.89 1.93 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.718 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -119.81 -1.68 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 93.6 mtt180 -146.42 164.13 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.01 -31.48 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.09 -52.01 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 103' ' ' ARG . 5.7 mm-40 -59.56 -26.62 65.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 0.0 110.033 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.5 tp -67.84 -56.69 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -66.5 -27.4 67.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.517 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.486 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.89 -58.23 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.376 . . . . 0.0 111.863 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -68.37 -49.05 62.91 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -65.27 -42.59 93.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -58.98 -36.47 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 55.5 m -66.3 -42.97 87.56 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.799 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.46 -32.7 49.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 13.1 mtt180 -75.7 -29.82 59.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 113' ' ' SER . 34.5 mt-10 -65.75 -17.98 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.907 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.32 -31.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.7 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -108.38 -60.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 111.514 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 74.6 t-105 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.764 0.316 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.76 146.66 47.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.32 -129.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.457 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -139.48 144.19 37.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.92 169.95 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.07 142.08 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.5 mtp -134.66 137.97 44.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -60.79 123.17 16.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.381 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.76 105.82 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 p -80.31 -0.36 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.246 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.97 -39.25 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.296 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.52 -0.43 8.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.892 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.78 72.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -169.81 176.09 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.924 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -106.23 132.91 51.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.731 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.1 p -130.53 165.0 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.49 121.53 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -119.65 129.22 54.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -73.94 103.33 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.276 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 92.4 m -93.96 160.66 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.653 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.27 117.47 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.71 123.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 111.441 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 139.48 20.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.31 43.82 19.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 61.11 16.89 7.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -123.92 170.31 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.6 tp -130.84 117.35 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.456 ' HB3' HG12 ' A' ' 63' ' ' ILE . 35.8 p -106.71 120.65 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -104.73 138.7 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.132 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.4 m -92.97 159.13 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.62 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.9 p-10 -61.26 165.76 4.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.762 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.14 121.74 5.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.432 HG13 ' HG3' ' A' ' 47' ' ' GLU . 41.2 pt -95.8 -31.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.643 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG3' HG13 ' A' ' 46' ' ' ILE . 34.7 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 12.1 tpp180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.067 0.461 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.39 154.57 8.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.959 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 41' ' ' SER . 36.2 mt -135.43 142.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.643 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -104.06 110.73 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.912 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.519 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -50.97 -27.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 96.7 mt 60.03 4.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -99.15 -12.79 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.275 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.2 p -139.49 61.56 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 88' ' ' GLU . 20.3 m-85 -151.7 170.85 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.594 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.6 m-20 -137.97 130.85 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.383 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.4 125.92 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.158 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -132.13 121.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.961 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -74.56 104.69 5.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.507 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -78.28 120.7 82.11 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.356 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_exo -76.38 156.7 37.02 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.998 2.465 . . . . 0.0 112.528 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 56.86 13.19 1.38 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.74 -171.26 5.89 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.445 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -139.9 154.84 47.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 110.726 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 65.84 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.994 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -144.68 18.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.9 176.2 5.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.444 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -119.76 -26.38 5.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.19 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.41 103.61 7.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.537 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 99' ' ' PHE . 40.7 t -129.9 148.65 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.4 m-85 -124.82 152.7 43.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.525 ' HB ' HG23 ' A' ' 72' ' ' VAL . 60.6 mt -130.19 133.58 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.33 125.7 41.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.475 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -113.69 111.66 48.68 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.886 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 34.4 Cg_endo -60.85 127.77 23.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.435 2.09 . . . . 0.0 112.097 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.63 6.92 5.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.458 ' HG3' ' OD2' ' A' ' 94' ' ' ASP . 7.3 pt20 -110.13 115.59 30.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 41.35 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.371 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.9 47.13 2.04 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.527 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 7.8 m-20 -61.47 164.43 9.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 50.8 Cg_endo -65.69 142.51 70.71 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.318 2.679 . . . . 0.0 113.359 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.73 168.18 7.06 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.968 2.445 . . . . 0.0 111.892 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.1 128.06 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.752 0.31 . . . . 0.0 111.293 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -101.4 143.07 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 47.3 m-85 -131.76 162.66 29.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.536 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.39 156.89 29.27 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.897 0.38 . . . . 0.0 111.599 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.1 p -124.32 -173.8 2.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 103' ' ' ARG . 1.6 p-10 -113.37 -11.98 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HG3' ' OD2' ' A' ' 102' ' ' ASP . 43.0 mtm180 -141.31 171.82 13.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.984 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.23 -39.55 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.13 -52.35 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.73 -26.96 66.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.0 tp -68.5 -56.59 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -67.18 -27.61 67.42 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.584 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.05 -57.77 4.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.891 0.377 . . . . 0.0 111.677 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -69.21 -49.02 60.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -66.66 -31.61 72.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.7 tm0? -70.35 -35.43 73.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 46.2 t -68.66 -49.07 62.01 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.407 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.9 mt -54.24 -34.86 28.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 56.9 ttt180 -76.48 -33.0 58.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.337 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 25.8 mt-10 -57.52 -19.14 22.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.821 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -109.05 -21.37 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.947 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.6 p -107.81 11.99 27.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 29.1 m95 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.948 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.447 HE21 ' HB1' ' A' ' 34' ' ' ALA . 47.1 mt-30 -123.47 143.2 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 -138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.346 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.24 144.94 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.47 166.27 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.55 137.58 52.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 83.8 mtp -130.73 131.69 44.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.78 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.61 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.6 t-105 -58.46 109.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.526 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.13 100.9 8.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -73.85 1.84 9.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.912 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mm -89.4 -61.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.77 -6.58 45.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.3 mp0 58.46 72.27 0.54 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.391 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -169.79 172.65 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.697 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -107.17 125.59 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.3 p -117.07 169.06 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -91.03 121.8 33.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -120.25 157.43 29.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 74.4 t80 -114.79 98.95 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.68 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -94.17 166.99 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.149 0.5 . . . . 0.0 111.854 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -166.91 117.56 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.487 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -88.65 132.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.001 0.429 . . . . 0.0 111.304 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.38 120.92 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 65.99 -80.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -151.29 14.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 88.4 mttt -121.99 142.14 50.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 111.557 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.3 tp -107.67 117.03 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.739 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -111.7 121.38 44.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.541 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -108.21 138.77 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.386 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 88.1 p -92.96 163.65 13.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.391 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.512 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 21.0 t70 -72.06 165.67 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -42.07 115.43 0.67 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.73 -31.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.294 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.085 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.3 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.078 0.466 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.89 150.56 12.57 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.713 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.4 mt -137.86 124.58 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -94.2 106.28 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.853 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.56 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.7 p-10 -53.74 -25.47 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.744 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.8 mt 62.49 5.14 1.53 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.442 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.535 HD22 ' HB2' ' A' ' 65' ' ' ASP . 53.3 m-80 -89.65 -4.36 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.718 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 65' ' ' ASP . 4.3 t -153.65 63.86 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.377 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -151.76 171.2 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 89.8 m-20 -138.93 129.97 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.333 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.28 127.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.513 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.78 124.12 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.005 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -77.52 104.51 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.332 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -77.29 120.77 82.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.1 Cg_endo -82.17 -64.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.059 2.506 . . . . 0.0 112.786 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.05 -17.79 11.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.31 -159.1 22.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -138.93 -61.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.213 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -140.29 103.2 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 57.04 16.45 2.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.501 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -118.73 157.82 26.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.4 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -109.22 -49.4 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -100.44 104.34 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.865 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 100' ' ' ALA . 20.7 t -136.41 149.8 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 111.867 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -124.98 152.25 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 72' ' ' VAL . 58.5 mt -131.0 134.53 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.1 mt -96.56 126.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.396 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.9 mt-10 -114.77 110.09 46.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.844 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -58.2 143.59 96.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.453 2.102 . . . . 0.0 112.294 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -107.43 5.68 27.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -75.52 -84.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.32 -139.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.25 33.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.339 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.535 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -63.17 155.96 71.0 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.543 0.211 . . . . 0.0 110.682 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.48 150.41 15.0 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.3 . . . . 0.0 112.985 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.52 168.36 9.93 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.879 2.386 . . . . 0.0 112.214 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.52 131.84 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -101.33 142.56 32.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.011 0.434 . . . . 0.0 111.352 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 84' ' ' VAL . 42.4 m-85 -130.52 159.04 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.344 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -156.75 161.5 39.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.047 0.451 . . . . 0.0 111.822 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.7 p -132.68 -174.96 3.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.45 -3.26 9.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -146.6 162.74 37.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.771 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.71 -25.55 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.3 -53.26 14.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.02 -32.5 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.407 . . . . 0.0 110.314 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.1 tp -65.5 -56.35 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.66 -29.31 69.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.661 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.67 -58.01 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -68.73 -49.03 62.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 41.7 m-85 -68.59 -31.06 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -70.0 -35.29 74.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 57.1 m -68.7 -48.07 64.81 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.248 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.9 -34.82 38.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.0 mtt180 -76.9 -27.9 55.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.624 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 113' ' ' SER . 20.3 mt-10 -57.83 -22.44 47.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.601 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 117' ' ' ILE . 3.0 mp -96.44 -40.91 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.659 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.6 p -94.25 -64.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.446 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 65.7 t-105 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.771 0.319 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -136.16 139.4 42.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.93 -147.73 8.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.87 139.12 50.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.8 mt -135.65 171.56 14.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.977 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -120.44 127.48 52.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -124.32 148.23 47.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -60.02 128.35 36.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.44 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.39 100.98 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.383 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 p -73.3 -7.29 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.287 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.73 -56.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 110.399 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -107.58 1.55 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 53.38 70.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.564 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.13 179.34 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.904 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -101.89 128.55 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.6 p -124.11 168.98 12.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -90.28 135.25 33.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -133.48 154.2 51.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 80.6 t80 -102.93 95.86 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.559 ' HB3' HD11 ' A' ' 40' ' ' LEU . 78.6 m -91.78 160.57 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.562 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.65 121.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.4 mt -88.65 124.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 111.361 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.58 121.4 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.962 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 65.1 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.191 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -147.17 10.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.358 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 67.8 mttm -119.1 165.56 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.9 tp -128.57 117.63 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HB3' HG12 ' A' ' 63' ' ' ILE . 38.9 p -106.52 122.01 45.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.316 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -105.13 131.31 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 48.3 t -88.72 159.27 17.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.405 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.98 165.58 23.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.587 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.25 131.69 4.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.024 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.95 4.7 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.525 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.077 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.0 tpm_? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.997 0.427 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.44 155.99 20.06 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.006 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 41' ' ' SER . 43.7 mt -137.76 140.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.565 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.1 mm? -102.23 111.09 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 5.3 m-20 -50.88 -27.73 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.4 mt 60.24 6.09 0.94 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.04 1.07 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.379 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -152.92 55.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -146.65 171.36 15.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.71 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 48.9 m-80 -137.03 131.09 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.351 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 87' ' ' LEU . 59.1 t -96.06 131.39 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -132.33 128.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -80.37 104.71 11.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.64 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.42 120.5 80.61 Favored Pre-proline 0 C--O 1.237 0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.137 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.26 151.44 29.89 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.843 2.362 . . . . 0.0 112.757 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 55.97 15.41 1.73 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.22 -169.61 13.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.391 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -138.68 149.43 45.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.559 0.218 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 69.65 -77.81 0.05 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.016 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -145.36 16.39 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.4 178.24 4.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.7 m -123.13 -26.28 4.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.367 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -129.04 102.45 6.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -127.87 147.69 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 111.884 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.3 m-85 -131.51 123.71 28.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.44 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 62.7 mt -101.52 141.5 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.1 mt -101.21 129.39 47.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.304 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -114.98 103.89 54.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.713 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 19.9 Cg_endo -59.83 153.13 58.89 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.479 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.502 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.445 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.7 tt0 -59.72 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.98 85.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.729 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.5 21.14 2.93 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.444 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.463 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -56.93 158.83 8.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.681 0.24 . . . . 0.0 110.706 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.09 149.79 41.9 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.57 2.18 . . . . 0.0 112.899 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.31 168.31 11.73 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.902 2.401 . . . . 0.0 112.307 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.48 130.65 57.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.29 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.557 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -97.66 139.76 33.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.285 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.69 159.48 35.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.1 158.83 35.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 111.685 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.421 ' OG1' HD23 ' A' ' 107' ' ' LEU . 64.3 p -125.97 -167.95 1.78 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.78 -2.14 6.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 107' ' ' LEU . 95.6 mtt180 -140.44 165.73 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.19 -37.6 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.01 -53.6 36.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 110' ' ' TRP . 6.7 mm-40 -60.03 -31.33 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 110.04 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 103' ' ' ARG . 2.4 tm? -57.16 -56.71 18.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.1 t80 -72.46 -42.86 64.49 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.279 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.74 -58.21 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.3 m95 -60.6 -49.18 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -70.81 -30.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.583 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.4 tm0? -60.65 -37.48 81.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.3 p -69.24 -46.26 67.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.78 -34.56 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 12.9 mtt180 -76.49 -31.57 57.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.357 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.1 -18.77 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.648 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 66' ' ' LEU . 72.5 mt -107.74 -30.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.4 p -101.01 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.7 t-105 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -148.12 145.18 28.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -140.72 128.94 22.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.46 136.03 35.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -156.75 149.26 23.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -58.51 136.32 57.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.5 109.29 21.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.534 HE21 ' HB1' ' A' ' 34' ' ' ALA . 48.6 mt-30 -134.08 146.91 50.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.91 -143.19 7.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.423 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -119.82 153.41 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.55 175.74 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -125.22 138.31 54.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.03 0.443 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 78.7 mtp -133.42 137.31 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.472 ' HZ2' HE21 ' A' ' 26' ' ' GLN . 43.8 t-105 -57.2 125.51 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.38 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -117.17 99.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.481 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -71.7 -6.37 40.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.137 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -66.0 -42.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.272 0.558 . . . . 0.0 109.635 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -123.45 2.49 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.67 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.472 HE21 ' HZ2' ' A' ' 21' ' ' TRP . 3.2 mt-30 50.24 69.94 0.56 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.987 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -167.47 177.49 5.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.939 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -109.45 115.61 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -106.07 168.43 9.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -94.73 126.27 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -123.0 144.1 49.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 77.3 t80 -89.69 95.83 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.092 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB3' HD11 ' A' ' 40' ' ' LEU . 96.7 m -90.52 160.68 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.582 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.88 118.25 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.598 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -88.73 125.77 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.369 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 121.26 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.964 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 65.2 -81.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.33 13.67 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.469 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 99.2 mttt -122.9 160.3 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.342 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 33' ' ' CYS . 31.6 tp -123.4 117.61 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 p -108.5 125.98 52.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.401 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -113.59 134.55 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 45.0 t -93.34 164.32 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.365 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.77 166.03 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 49' ' ' THR . 4.3 m-20 -41.45 132.0 2.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.96 1.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 10.4 pt-20 -158.12 -35.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 77.9 mt-30 -94.5 32.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.818 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 66.8 p -53.59 134.55 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.3 mmt -114.26 24.1 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 44.3 mt-10 -53.37 113.9 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.204 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.57 -46.65 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.647 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.57 18.47 9.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.525 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 27.5 m-80 57.66 69.93 1.45 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.87 -161.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.834 2.356 . . . . 0.0 112.141 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.98 -60.46 3.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.89 -61.16 4.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.552 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p 50.93 -167.11 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.865 0.364 . . . . 0.0 111.228 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -103.78 -67.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.9 p -72.06 96.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.7 tpm_? -78.93 -26.14 43.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.456 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.08 151.97 12.95 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.96 138.37 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 111.608 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.5 mm? -101.23 110.92 23.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.971 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.538 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.5 m-20 -52.35 -26.98 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.328 . . . . 0.0 110.772 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 98.0 mt 60.56 7.45 1.37 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.276 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -102.87 -9.53 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.354 179.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -141.31 57.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.201 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -149.59 171.51 16.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -139.49 131.24 27.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.5 t -96.2 134.81 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 111.298 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.8 OUTLIER -139.16 120.63 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -72.79 104.34 3.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . -76.14 120.7 82.84 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.18 155.54 42.11 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.943 2.429 . . . . 0.0 112.282 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 56.88 13.63 1.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.75 -168.42 3.71 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.572 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.563 ' H ' ' HB2' ' A' ' 81' ' ' LYS . 36.7 mtpt -145.11 137.83 26.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 54.46 82.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.294 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 60.23 17.1 6.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.177 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' HB2' ' H ' ' A' ' 78' ' ' LYS . 71.8 mmtt -113.5 167.63 10.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.485 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.0 t -124.2 -25.75 4.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.617 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.89 105.54 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.915 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 100' ' ' ALA . 27.0 t -133.09 150.94 33.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 21.2 m-85 -129.6 135.05 48.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.215 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.545 HG12 ' HG3' ' A' ' 98' ' ' GLU . 70.8 mt -113.86 138.63 43.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.3 mt -100.04 130.47 46.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.28 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.7 mt-10 -117.63 107.09 45.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.687 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 14.9 Cg_endo -56.18 152.96 35.29 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.553 2.169 . . . . 0.0 112.414 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.3 mtpt -121.58 3.32 10.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.495 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 8.2 tp-100 -61.81 -62.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -165.08 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.13 31.8 2.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.72 158.95 81.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.566 0.222 . . . . 0.0 110.615 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.27 153.31 14.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 112.895 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -83.82 168.14 12.56 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.891 2.394 . . . . 0.0 112.196 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.57 131.71 47.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.335 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.08 141.8 31.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 84' ' ' VAL . 41.8 m-85 -130.31 158.38 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.481 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 162.28 36.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.023 0.44 . . . . 0.0 111.77 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.7 p -135.74 -173.59 3.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.48 7.47 8.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.793 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -146.51 160.6 41.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.41 -33.82 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.152 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.01 -50.24 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.42 -32.36 70.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.017 0.437 . . . . 0.0 110.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.73 -56.33 11.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.5 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.98 -27.7 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.659 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.39 -58.08 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -68.63 -41.08 79.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.517 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.1 m-85 -75.02 -30.92 61.23 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.74 -33.0 71.85 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -68.72 -46.81 67.95 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.126 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.2 -34.49 45.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.452 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 87.3 mtt180 -76.37 -31.6 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 113' ' ' SER . 12.1 mm-40 -60.21 -19.75 55.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.469 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 66' ' ' LEU . 73.1 mt -108.54 -32.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.555 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' LEU . 66.1 p -98.5 -62.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.819 0.342 . . . . 0.0 111.297 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 -53.72 -26.23 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -130.45 131.59 45.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.1 pt -141.45 113.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.44 . . . . 0.0 111.329 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -105.39 110.31 22.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 63.2 m -145.86 114.64 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.3 pttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.132 -0.937 . . . . 0.0 111.041 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 8.1 mtpm? 59.52 -177.76 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -141.51 142.59 33.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.97 -63.55 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -140.01 162.41 35.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 58.43 98.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.264 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 -78.23 104.32 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 80.0 mt-30 -125.15 133.08 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.85 -132.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.452 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -130.19 139.67 50.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.997 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -146.47 160.3 42.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -106.81 145.21 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 mtm -141.25 139.31 33.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -57.94 123.63 16.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -107.38 104.12 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 p -78.83 -1.68 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.363 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.7 mp -75.46 -45.31 40.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 110.225 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.79 0.18 11.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.011 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 54.2 72.74 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.743 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -171.46 176.48 3.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.849 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -105.28 129.39 53.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.6 p -124.44 165.64 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -94.67 122.31 37.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -117.55 163.09 16.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -109.01 97.6 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.852 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.562 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.5 m -87.53 162.42 17.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.812 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 15' ' ' GLN . . . -168.36 113.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.705 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.662 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.4 mt -88.92 113.15 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.222 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.38 122.78 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 63.68 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.33 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.36 7.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.403 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.7 mttt -119.38 158.82 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.193 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.0 tp -120.99 117.61 27.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -108.74 120.28 42.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.994 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -105.23 132.69 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.616 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.8 m -95.38 176.94 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 4.9 p-10 -66.98 165.21 16.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.42 151.19 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -101.97 -4.16 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.521 ' HG3' ' HG2' ' A' ' 48' ' ' GLN . 10.3 pt-20 -153.4 -34.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.78 29.56 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.1 p -51.3 -57.61 8.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.412 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.1 mmt 56.84 89.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -128.99 128.58 43.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.018 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.52 -48.76 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -140.28 19.52 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m120 56.5 69.9 1.63 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.88 -56.57 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.762 2.308 . . . . 0.0 112.367 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 tp -132.81 149.87 52.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.67 43.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -74.13 178.62 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.8 tp -96.14 -72.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.2 p -61.36 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 33.4 mmt180 -92.69 7.58 42.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.525 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.8 151.04 5.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.995 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 46.6 mt -138.89 141.17 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 111.448 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.2 mm? -103.01 110.58 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.079 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 p30 -51.25 -29.08 13.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 118' ' ' THR . 89.3 mt 62.19 4.22 1.18 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.637 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.28 -8.42 21.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.923 0.392 . . . . 0.0 110.305 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 78.4 p -143.34 61.61 1.39 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.92 171.34 17.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.586 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 49.3 m-80 -138.29 131.13 29.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.3 t -96.14 132.34 40.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.904 0.383 . . . . 0.0 111.153 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -138.32 120.95 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -75.72 104.68 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.521 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.39 120.87 83.59 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.265 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.04 -70.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.934 2.423 . . . . 0.0 112.849 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -55.11 -21.42 12.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.19 -162.96 12.62 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.227 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' HD3' HD11 ' A' ' 86' ' ' ILE . 20.1 mmmt -138.52 -28.73 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -141.5 -83.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -127.3 7.21 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -95.77 -173.92 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.981 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t -128.38 -54.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.948 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -92.37 92.43 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.65 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 67.9 t -117.91 155.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 111.894 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 27.8 m-85 -136.11 125.12 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.193 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 57.2 mt -106.5 138.12 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' HG22 ' A' ' 71' ' ' VAL . 43.3 mt -99.97 128.28 46.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.303 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.2 mt-10 -114.68 104.97 54.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.747 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.73 152.02 59.58 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.42 2.08 . . . . 0.0 112.553 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG2' HD21 ' A' ' 70' ' ' ASN . 46.6 mtpt -115.98 1.4 13.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.355 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 49.2 tt0 -97.46 129.66 44.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 43.8 -92.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.797 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.84 33.35 0.44 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.771 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -50.57 160.85 0.7 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 110.95 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.1 156.65 11.27 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.747 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.68 168.1 14.44 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.789 2.326 . . . . 0.0 112.299 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.67 129.23 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.185 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.6 mp0 -96.52 141.34 29.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.924 0.392 . . . . 0.0 111.324 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.6 m-85 -130.69 156.97 44.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.465 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.08 147.83 18.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 111.822 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.6 p -118.08 -172.54 2.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.709 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.12 -9.32 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 61.5 mtt180 -139.39 161.59 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.46 -28.17 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.25 -52.99 18.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' HB2' ' A' ' 103' ' ' ARG . 7.4 mt-10 -60.45 -30.64 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.228 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.532 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -66.97 -56.76 8.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.51 -28.01 68.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.574 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.455 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -74.85 -58.37 3.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -69.11 -49.32 58.14 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.532 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.5 m-85 -67.13 -42.56 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.4 tp60 -60.93 -35.29 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.424 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -68.56 -45.92 70.83 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.022 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.6 mt -55.86 -33.24 34.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 88.0 mtt180 -76.09 -36.04 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.588 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 35.1 mt-10 -59.64 -17.86 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.441 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.46 -21.75 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' LEU . 70.7 p -113.01 -57.25 2.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.766 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 4.5 m95 -56.77 -20.12 20.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.04 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -84.85 20.0 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.78 103.06 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.93 159.23 24.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 82.7 p -110.2 13.52 23.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 4.1 mptp? 58.36 -173.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -94.12 179.44 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -86.27 -67.16 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -135.8 153.35 51.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -122.98 143.45 49.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 13.7 mm100 -73.98 138.53 44.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 7.7 tt0 -169.05 137.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.59 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 170.41 -135.74 3.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.49 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -128.63 132.74 48.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.77 172.06 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -121.96 136.89 54.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.5 mtm -133.39 141.01 47.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -57.29 131.17 49.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -115.02 100.44 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.368 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.5 p -72.33 -7.95 52.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.388 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.6 -55.61 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.491 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -108.25 -0.01 21.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.64 68.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.572 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -170.23 176.65 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.669 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -103.49 134.25 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -121.26 169.0 11.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -97.9 122.31 40.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -120.58 160.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 40.5 t80 -109.85 96.02 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.747 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.553 ' HB3' HD11 ' A' ' 40' ' ' LEU . 85.0 m -89.01 162.91 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.861 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -169.81 116.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.587 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 14' ' ' GLN . 87.5 mt -88.77 136.84 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.318 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.14 134.54 2.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.29 41.32 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 60.56 22.54 12.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.434 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 27.7 mtmt -131.69 135.68 47.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 33' ' ' CYS . 28.5 tp -107.44 117.04 33.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -111.7 116.45 30.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.051 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -103.94 133.0 49.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 94.2 p -89.25 161.63 16.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.71 165.6 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 48' ' ' GLN . 11.1 m-20 -45.88 142.52 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -103.2 -28.06 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.678 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -121.25 -32.64 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.35 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 45' ' ' ASP . 57.6 tp60 -69.1 -60.48 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 ' H ' ' HB2' ' A' ' 45' ' ' ASP . 71.1 p 53.51 111.83 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.2 mtm -94.24 1.31 56.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -81.86 138.16 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.46 -67.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -114.26 14.33 18.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t30 56.33 68.27 2.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.801 2.334 . . . . 0.0 112.029 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tt -165.22 103.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.13 82.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.616 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -62.65 144.56 56.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.671 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.5 -77.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -56.58 102.35 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -82.22 -37.03 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.671 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -162.81 166.47 36.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG21 ' HD2' ' A' ' 39' ' ' LYS . 62.6 mt -141.5 139.22 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.512 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.3 mm? -107.76 107.99 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.859 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.3 t70 -55.77 -22.15 22.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.392 . . . . 0.0 110.661 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' C ' HD22 ' A' ' 67' ' ' ASN . 95.0 mt 61.25 9.87 2.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.387 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -109.08 -6.85 15.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.0 p -139.45 53.25 1.72 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.427 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -151.49 169.31 22.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.4 m-20 -137.83 131.74 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 87' ' ' LEU . 24.8 t -96.28 133.9 35.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.864 0.364 . . . . 0.0 111.096 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -136.74 120.87 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.26 104.67 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.417 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.27 120.79 82.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.321 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 83.9 Cg_endo -78.11 -52.77 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.791 2.327 . . . . 0.0 113.044 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 65.3 mt-30 -79.92 11.01 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.731 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.7 -140.2 29.98 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.298 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -149.89 -59.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -136.92 102.57 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 58.64 14.79 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.405 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -115.97 164.24 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.47 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -114.32 -51.46 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.212 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -98.36 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.6 t -132.65 152.6 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 111.748 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.9 m-85 -133.7 122.82 23.94 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 98' ' ' GLU . 64.2 mt -103.28 139.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 71' ' ' VAL . 28.4 mt -100.81 130.93 46.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.164 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.0 mt-10 -117.32 111.14 40.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.031 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 33.5 Cg_endo -61.19 132.5 41.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.553 2.169 . . . . 0.0 112.326 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -87.03 5.44 37.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.684 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.54 -7.3 55.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 94' ' ' ASP . 19.8 mt-30 63.24 152.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.621 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.81 -23.78 0.83 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.503 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -75.9 156.36 84.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.561 0.219 . . . . 0.0 110.657 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -84.64 152.35 11.67 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.849 2.366 . . . . 0.0 113.075 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.83 168.32 10.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.908 2.406 . . . . 0.0 112.217 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.4 t -132.47 120.89 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.555 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -91.31 143.62 26.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.335 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 84' ' ' VAL . 44.3 m-85 -130.29 157.99 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.639 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.17 154.37 27.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 111.78 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.4 p -127.65 -172.26 2.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.39 3.19 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -146.44 158.99 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.721 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.9 -30.13 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.799 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.08 -51.99 22.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.608 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.36 -27.8 66.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.497 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.8 tp -66.63 -56.71 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.024 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.84 -27.42 67.53 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.561 -179.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.481 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 9.9 tp10 -72.61 -58.14 3.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.851 0.358 . . . . 0.0 111.819 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.406 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 19.1 m95 -68.31 -49.15 62.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.497 ' HE2' HD12 ' A' ' 107' ' ' LEU . 32.9 m-85 -67.34 -36.08 80.69 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -65.47 -33.81 76.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.8 m -68.6 -45.64 71.43 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.99 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.84 -35.56 51.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 74.9 mtt180 -76.36 -29.06 57.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.406 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.8 -18.94 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.517 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' ALA . 84.2 mt -108.3 -31.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.469 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 66' ' ' LEU . 72.3 p -99.68 -61.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 111.204 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.6 t-105 -59.06 -26.01 64.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.165 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 120' ' ' LYS . 3.1 mmmp? -115.96 141.66 47.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 121' ' ' ILE . 4.1 mp -115.74 99.36 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.15 107.45 17.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.5 t -159.85 160.0 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 pttt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -164.59 19.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -110.32 118.01 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.09 -35.32 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -111.24 144.94 39.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -92.65 157.2 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.19 116.96 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 33.8 tt0 -147.46 140.94 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.55 -139.61 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.501 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -126.13 144.19 50.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -146.89 168.8 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -115.05 143.61 44.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.1 mtp -137.18 140.31 41.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.699 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -63.29 113.37 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.201 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.53 108.35 19.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.85 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -82.2 8.03 12.11 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.566 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.7 mt -105.83 -28.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.68 -1.22 12.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.56 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.6 mp0 43.41 61.66 2.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.666 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.67 -171.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.142 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -113.45 108.59 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.528 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.541 HG22 ' HG3' ' A' ' 48' ' ' GLN . 49.3 p -102.57 167.67 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -100.05 133.51 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -89.17 96.85 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 40' ' ' LEU . 89.7 m -84.75 154.15 22.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.804 -178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -166.79 116.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.367 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -88.28 124.25 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 0.0 111.35 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.04 130.16 51.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 64.77 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.13 11.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.1 mttt -125.97 173.51 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.5 tp -121.98 117.79 27.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.484 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.9 p -101.5 109.39 21.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.728 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -101.26 142.66 32.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -88.01 173.54 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.4 p30 -76.88 165.28 24.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.636 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.67 126.81 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.556 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 pt -100.02 -27.85 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.675 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.09 -50.21 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 29' ' ' THR . 18.3 mm-40 -83.89 -40.68 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.528 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.4 p 53.38 111.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.849 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mtp -90.54 6.53 43.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.807 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.6 mt-10 -66.45 120.5 13.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.44 -64.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -114.51 17.41 17.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.658 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 26.6 t-20 57.26 70.21 1.42 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.45 -60.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.779 2.319 . . . . 0.0 112.116 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.7 tp -166.36 109.85 0.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.78 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 76.86 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -65.4 162.35 17.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -78.56 -36.39 44.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.4 t -101.5 81.31 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.897 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.7 tpt180 -69.82 -28.63 65.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.544 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.01 149.07 13.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.242 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.29 138.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.5 tp -109.6 100.46 9.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.384 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.4 m-20 -59.54 100.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -77.72 26.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.178 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 65' ' ' ASP . 16.5 m120 -112.87 -6.34 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.6 p -141.18 58.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -152.88 171.13 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.585 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.7 m-20 -137.33 128.28 27.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.912 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.7 t -95.95 128.79 46.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 111.314 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -130.55 135.61 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.71 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -86.32 110.97 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.629 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.24 120.11 69.76 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.182 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.564 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 86.2 Cg_endo -79.94 -64.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.872 2.381 . . . . 0.0 113.512 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.564 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 18.4 mt-30 -59.49 -12.61 6.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.09 163.5 6.49 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.088 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.612 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 24.4 ttmm -122.01 160.29 25.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.756 0.312 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.0 m120 65.99 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.214 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -148.49 12.08 0.9 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -98.4 177.97 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.329 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.2 p -116.09 -58.82 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.933 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.83 101.99 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.64 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 99' ' ' PHE . 96.6 t -131.94 147.76 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 112.003 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.472 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 10.2 m-85 -127.17 123.97 37.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.573 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.9 mt -99.35 142.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.181 0.515 . . . . 0.0 112.3 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 71' ' ' VAL . 78.9 mt -104.67 130.4 52.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.291 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 44.3 mt-10 -116.26 111.22 42.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.838 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 29.5 Cg_endo -60.1 131.2 37.82 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.582 2.188 . . . . 0.0 112.201 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -87.46 11.16 15.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.696 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.1 mm100 -63.88 -67.43 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.86 -67.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.667 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.21 23.67 2.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.141 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.597 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -63.19 163.86 16.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.577 0.227 . . . . 0.0 110.824 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 93.9 Cg_endo -76.35 148.44 30.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.888 2.392 . . . . 0.0 113.152 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.22 168.33 7.64 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.941 2.427 . . . . 0.0 112.175 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.77 126.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 78' ' ' LYS . 1.5 mp0 -95.01 144.67 25.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.41 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.4 m-85 -132.34 147.14 52.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.71 153.19 38.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.944 0.402 . . . . 0.0 111.805 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.412 HG21 ' HA ' ' A' ' 107' ' ' LEU . 44.7 p -123.11 -171.66 2.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.866 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -119.35 -2.17 10.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -144.43 164.61 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 p -78.26 -31.64 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.23 -54.12 12.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.636 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.07 -25.48 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.154 0.502 . . . . 0.0 109.87 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HA ' HG21 ' A' ' 101' ' ' THR . 5.5 tp -66.94 -57.52 6.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.29 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.0 t80 -70.5 -33.53 71.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.532 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.86 -57.78 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.979 0.418 . . . . 0.0 111.434 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -66.99 -39.15 87.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.242 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 11.6 m-85 -75.15 -30.43 60.75 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -68.0 -37.11 81.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.6 t -67.8 -45.07 75.84 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.85 -35.67 52.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 79.1 mtt180 -76.42 -28.65 56.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.438 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 113' ' ' SER . 23.8 mt-10 -60.41 -22.29 63.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.399 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 66.9 mt -108.32 -32.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.717 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.8 p -96.2 -60.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 63.9 t-105 -61.25 -23.61 65.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -123.09 163.38 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.7 mm -124.52 102.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -81.85 113.97 20.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 62.9 m -104.05 -60.3 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.009 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.686 0.279 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt 58.83 96.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.04 97.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.67 107.46 19.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -158.86 -69.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt 63.98 122.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -87.57 107.59 18.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -135.7 152.69 51.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.67 -125.32 1.35 Allowed Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.57 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -126.52 163.02 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.381 . . . . 0.0 111.052 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.84 158.08 22.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -113.63 135.25 54.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.1 mtm -131.12 138.07 49.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.7 t-105 -57.96 119.28 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.322 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -102.29 104.57 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.1 p -78.84 -1.56 35.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -75.71 -44.11 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -119.49 0.16 10.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 53.66 72.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.478 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.52 175.66 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.13 120.04 40.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.538 HG22 ' HG2' ' A' ' 48' ' ' GLN . 44.1 p -113.83 168.74 9.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -91.76 127.48 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -123.52 143.61 50.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -97.92 99.93 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.037 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' HB3' HD11 ' A' ' 40' ' ' LEU . 79.9 m -93.9 166.04 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.103 0.478 . . . . 0.0 111.692 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.52 115.92 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.652 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.4 mt -88.68 139.67 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.397 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.76 122.03 12.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 64.15 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -150.67 24.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.359 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 87.4 mttt -134.35 142.11 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.771 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.7 tp -107.78 117.38 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.158 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -109.63 124.75 51.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -109.58 143.44 39.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.745 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -100.44 171.6 7.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.002 0.43 . . . . 0.0 111.375 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 20.5 t70 -69.14 165.87 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.742 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -43.08 139.04 1.92 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.556 HG13 ' HG2' ' A' ' 47' ' ' GLU . 42.5 pt -96.53 -5.56 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.617 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 46' ' ' ILE . 8.1 pt-20 -164.16 -30.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.538 ' HG2' HG22 ' A' ' 29' ' ' THR . 17.1 tp60 -88.75 29.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.9 p -56.19 149.33 16.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.3 mmm -127.06 15.92 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 44.1 mt-10 -59.98 117.39 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.83 -48.34 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.35 21.6 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.589 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 63.8 m-20 57.02 69.99 1.52 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.54 -49.55 4.29 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.734 2.289 . . . . 0.0 112.21 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.1 tp -151.93 110.49 3.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.69 44.36 1.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.548 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -72.18 146.25 47.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.29 -74.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -66.51 115.18 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.7 mmm180 -98.65 -25.76 14.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.16 160.5 34.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.9 mt -143.81 125.47 10.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 0.0 111.534 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.7 mm? -88.99 106.67 18.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.005 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.635 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.0 m-20 -54.07 -23.42 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.57 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 38' ' ' ALA . 80.3 mt 63.95 0.53 0.97 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.261 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 65' ' ' ASP . 21.3 m120 -104.79 -3.45 23.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 110.19 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -140.75 41.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -149.42 171.17 17.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.022 0.439 . . . . 0.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 90.4 m-20 -142.16 119.15 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.268 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG11 HG22 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -95.16 125.85 47.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.236 0.541 . . . . 0.0 111.266 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -123.87 153.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.105 -179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -95.82 105.02 16.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.49 121.16 70.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -81.0 168.77 16.93 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.967 2.445 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 55.49 21.09 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.32 -144.1 40.3 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.387 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 86' ' ' ILE . 16.3 tppt? -149.22 -45.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -121.13 -79.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -123.97 15.03 9.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -97.84 -176.57 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.348 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -125.47 -30.77 3.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.941 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 107' ' ' LEU . 27.6 m-85 -126.22 108.23 11.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.629 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 100' ' ' ALA . 53.1 t -131.87 143.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.2 m-85 -116.51 161.38 19.21 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 72' ' ' VAL . 67.3 mt -136.51 137.36 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 87' ' ' LEU . 31.2 mt -99.67 130.7 45.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 39.8 mt-10 -118.36 107.82 42.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.547 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.9 Cg_endo -55.69 153.53 29.66 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.469 2.113 . . . . 0.0 112.477 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -122.62 2.04 9.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.491 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.5 tp-100 -64.65 -73.36 0.12 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.24 -80.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 34.04 2.67 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -67.66 159.92 75.84 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.512 0.196 . . . . 0.0 110.639 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.03 153.99 11.16 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.767 2.311 . . . . 0.0 112.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.43 168.14 14.88 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.831 2.354 . . . . 0.0 112.167 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -137.36 125.54 32.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.77 0.319 . . . . 0.0 111.347 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.1 mp0 -94.67 141.28 28.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 84' ' ' VAL . 22.7 m-85 -129.49 156.82 43.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.24 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.39 165.16 33.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.067 0.46 . . . . 0.0 111.883 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 p -136.95 -171.37 2.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.76 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.84 5.22 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.38 153.76 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.695 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.99 -31.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.19 -50.16 36.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.59 -33.17 73.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.413 . . . . 0.0 110.061 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.4 tp -64.2 -56.23 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.307 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.44 -27.57 68.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.318 -179.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -72.86 -58.08 3.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -68.48 -48.09 65.36 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 31.7 m-85 -67.78 -30.57 70.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -69.41 -36.39 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 39.0 t -66.22 -50.08 65.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.347 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.408 HG22 HG11 ' A' ' 71' ' ' VAL . 62.6 mt -54.12 -35.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -77.01 -27.93 54.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.721 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 113' ' ' SER . 22.2 mt-10 -57.91 -23.82 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.533 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 117' ' ' ILE . 3.6 mp -93.84 -40.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.671 0.272 . . . . 0.0 111.645 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.5 p -94.18 -65.14 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 60.3 t-105 -55.04 -24.2 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -127.65 131.96 49.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.91 99.65 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -99.03 157.27 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 t -151.65 -24.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.875 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -102.55 167.8 9.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.22 118.57 33.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -140.65 4.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -73.24 -36.6 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HD2' ' NE2' ' A' ' 15' ' ' GLN . 9.7 ptpp? -161.72 140.48 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.4 mm100 -80.61 123.02 27.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.587 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.438 ' NE2' ' HD2' ' A' ' 13' ' ' LYS . 40.8 mt-30 -144.35 133.8 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.349 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.37 -125.73 1.1 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.714 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -137.5 148.12 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.049 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -148.54 170.44 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -116.05 138.5 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.0 mtp -131.8 139.24 48.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 35.8 t-105 -58.32 120.93 9.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.539 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.8 105.58 17.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -81.67 8.68 9.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.374 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.35 -43.41 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.029 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.6 1.33 31.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.81 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.3 mp0 45.13 60.77 2.83 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.884 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -170.86 -178.37 2.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.748 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -104.54 142.11 35.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.4 p -134.13 165.0 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.877 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -93.31 124.06 37.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -121.72 145.68 47.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 78.4 t80 -91.57 99.23 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -93.53 160.16 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.674 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -166.26 114.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.386 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 14' ' ' GLN . 95.3 mt -88.38 108.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.343 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.36 124.85 50.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.23 -84.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -145.04 6.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.422 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 66.0 mttm -116.11 145.85 42.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.221 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 33' ' ' CYS . 15.4 tp -107.57 116.3 31.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.182 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -105.82 118.13 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 111.212 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -104.29 130.73 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 95.0 p -95.66 177.18 5.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.255 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.02 165.18 24.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -53.46 149.41 7.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.6 pt -110.65 2.3 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.334 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.0 -33.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.2 19.62 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.7 p -56.83 119.89 6.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.7 mmm -101.58 15.2 29.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 136.91 57.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.4 -66.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -114.07 17.13 17.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.438 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 50.2 m-20 56.12 60.7 8.19 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.899 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 97.2 Cg_endo -88.28 117.04 0.99 Allowed 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.782 2.321 . . . . 0.0 112.395 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp 58.23 98.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.79 -67.15 1.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.2 t 60.94 176.58 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.382 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -108.49 -75.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.8 p -63.92 105.69 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.2 mmp_? -93.25 -21.32 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.718 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.14 157.53 25.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.96 140.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD21 HD13 ' A' ' 87' ' ' LEU . 8.9 tp -101.85 99.33 9.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.873 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 7.0 m-20 -51.52 -29.88 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 38' ' ' ALA . 96.6 mt 55.39 -170.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.474 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 63.93 -2.86 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 66' ' ' LEU . 12.8 t -138.78 15.12 2.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.259 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.39 170.99 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.773 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 92.0 m-20 -134.72 117.14 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.679 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.47 143.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.16 0.505 . . . . 0.0 111.044 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -139.04 120.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.865 -179.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -68.67 104.6 2.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.14 121.09 75.47 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.685 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.4 151.46 22.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.005 2.47 . . . . 0.0 112.518 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 54.15 21.72 3.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 56.8 -153.7 19.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.354 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 39.2 ttpt -139.31 -44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' ND2' ' HE3' ' A' ' 78' ' ' LYS . 42.3 m-80 -134.42 104.38 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 57.51 12.94 1.66 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.326 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -119.51 163.75 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.6 m -122.37 -27.22 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 107' ' ' LEU . 10.2 m-85 -121.64 99.29 6.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 99' ' ' PHE . 55.1 t -131.16 146.35 33.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 111.813 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.4 m-85 -125.16 124.42 41.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.479 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 98' ' ' GLU . 74.0 mt -99.44 138.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 111.771 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD13 HD21 ' A' ' 64' ' ' LEU . 99.0 mt -102.41 135.31 44.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.442 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.5 mt-10 -123.3 104.14 35.03 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.449 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 19.6 Cg_endo -59.28 156.23 36.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.501 2.134 . . . . 0.0 112.514 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 49.0 mtpt -125.69 1.9 7.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.429 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 13.3 mt-30 -55.71 -57.21 12.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.2 -73.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.54 34.9 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.233 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -71.02 158.5 88.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.562 0.22 . . . . 0.0 110.696 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.49 155.33 16.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.241 . . . . 0.0 112.73 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.41 167.51 19.19 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.679 2.253 . . . . 0.0 112.219 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 t -138.87 121.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.296 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.594 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -92.1 145.57 24.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 84' ' ' VAL . 32.4 m-85 -132.42 160.62 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.528 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.96 165.12 35.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.758 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.4 p -138.02 -179.34 5.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.51 -14.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -142.86 172.6 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 p -78.22 -28.53 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.57 -49.51 58.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.96 -24.5 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.101 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.9 tp -70.23 -56.99 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.012 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.21 -27.51 66.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.475 -179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.448 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.38 -57.85 3.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.915 0.388 . . . . 0.0 111.795 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -70.49 -45.46 65.6 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.528 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.4 m-85 -70.45 -30.96 67.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -69.93 -37.83 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.2 p -68.2 -42.11 80.38 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.11 -33.21 46.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 78.1 mtt180 -76.18 -33.91 59.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.841 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.29 -18.61 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.13 -36.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.521 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.0 p -98.08 -61.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.8 t-105 -57.45 -25.0 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -110.22 137.87 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.8 mt -135.24 108.82 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.3 151.96 30.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 74.2 p -88.07 135.06 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.894 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -86.0 117.91 25.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.799 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -135.1 138.7 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -74.77 153.69 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -135.21 121.2 19.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -78.27 134.63 37.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -95.35 116.61 29.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 9.2 tt0 -147.27 142.35 27.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.55 -130.01 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.367 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -126.61 162.13 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.36 155.58 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.59 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -108.9 133.7 52.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.0 111.27 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.9 mtp -127.23 149.66 49.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.562 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 t-105 -64.45 125.34 24.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.506 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -101.97 105.45 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.065 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 t -81.3 8.58 8.77 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.567 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.3 mt -103.18 -50.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.983 0.42 . . . . 0.0 110.109 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.88 3.29 47.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' OE1' ' N ' ' A' ' 26' ' ' GLN . 3.0 mp0 44.62 62.16 2.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.48 -174.11 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.911 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -103.34 136.84 42.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 HG22 ' HG3' ' A' ' 48' ' ' GLN . 42.2 p -127.05 166.29 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.873 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -89.88 128.47 36.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -126.94 132.72 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -86.85 95.81 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -86.84 159.24 19.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 112.083 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.15 115.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.065 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.9 mt -88.11 112.73 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.075 0.464 . . . . 0.0 111.598 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.62 124.06 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.697 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 62.99 -84.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -141.02 -5.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.838 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 91.8 mttt -107.46 159.82 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 111.189 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 33' ' ' CYS . 22.9 tp -108.19 117.65 34.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.102 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -104.84 108.97 20.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -101.1 137.86 38.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HB2' HD13 ' A' ' 59' ' ' LEU . 48.4 t -95.13 166.99 11.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 3.9 p30 -64.35 165.26 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -47.95 133.29 14.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG13 ' HG2' ' A' ' 47' ' ' GLU . 34.5 pt -80.57 -23.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.407 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 46' ' ' ILE . 6.0 pt-20 -131.55 -31.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.074 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' HG3' HG22 ' A' ' 29' ' ' THR . 29.3 mm-40 -89.06 33.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -48.48 116.27 1.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.463 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.5 mtm -94.03 -2.28 53.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -70.89 123.62 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.419 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 54' ' ' ASN . 1.9 pm0 -98.83 152.99 19.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.261 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 52' ' ' GLU . 18.9 t70 72.44 -30.98 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.208 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 52' ' ' GLU . 82.3 m-20 -133.58 66.07 72.93 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.73 0.3 . . . . 0.0 110.543 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 11.9 Cg_exo -71.05 3.92 3.08 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.865 2.377 . . . . 0.0 112.472 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 tp -58.3 -43.59 88.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.15 159.87 7.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.628 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.0 p -148.09 -173.18 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.797 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -97.52 178.21 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.6 p 40.48 86.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.782 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 31.0 tpt180 -93.71 -27.69 16.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.17 153.45 19.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.33 142.46 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -116.38 100.28 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.335 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.9 m-20 -56.51 98.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 86.6 mt -76.18 23.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.251 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.0 m120 -113.14 -3.36 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.609 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.6 p -143.0 56.11 1.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -151.01 171.21 17.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.593 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.4 m-80 -136.13 129.36 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.159 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.502 HG22 ' CD2' ' A' ' 87' ' ' LEU . 22.8 t -96.14 130.17 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 0.0 111.143 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.51 132.01 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 1.4 tmmt? -80.97 108.67 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 121.17 67.0 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.538 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.81 166.09 19.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.782 2.321 . . . . 0.0 112.797 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 55.65 21.02 4.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.14 -143.72 36.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.298 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HE3' HD11 ' A' ' 86' ' ' ILE . 15.6 tppt? -146.93 -58.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -103.16 -66.87 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -139.58 12.6 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.297 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.21 -173.44 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.208 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 t -124.42 -31.53 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.415 ' HB2' HD13 ' A' ' 107' ' ' LEU . 17.8 m-85 -123.56 106.06 10.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.951 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG11 ' HB2' ' A' ' 78' ' ' LYS . 56.1 t -129.81 144.1 39.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 111.849 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -125.91 127.49 46.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.531 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG12 ' HG3' ' A' ' 98' ' ' GLU . 77.4 mt -100.0 144.75 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.165 0.507 . . . . 0.0 112.061 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 71' ' ' VAL . 79.0 mt -107.63 129.96 54.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.335 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.0 mt-10 -114.78 108.85 48.31 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.8 Cg_endo -58.67 153.4 49.61 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.617 2.211 . . . . 0.0 112.777 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' HG2' HD21 ' A' ' 70' ' ' ASN . 49.8 mtpt -123.55 2.34 8.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.523 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 31.7 mt-30 -58.82 -56.09 26.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.54 -76.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.23 36.59 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -73.16 160.06 83.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.535 0.207 . . . . 0.0 110.782 -179.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.48 154.88 14.02 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.718 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.65 167.83 16.55 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.78 2.32 . . . . 0.0 112.265 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.2 t -137.48 133.15 46.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.554 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.7 mp0 -99.26 140.55 33.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.269 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -128.57 158.69 37.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.326 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.13 156.2 28.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.918 0.39 . . . . 0.0 111.97 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.2 p -124.0 -168.05 1.73 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.728 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -123.14 -3.62 8.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -143.18 171.83 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -45.13 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.224 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.38 -46.21 81.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.39 -35.68 76.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.503 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.6 tp -63.39 -56.01 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.976 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 12.3 m-85 -63.88 -27.05 68.89 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.579 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -75.19 -57.88 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -67.96 -40.25 83.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 15.8 m-85 -75.3 -30.39 60.35 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 12.0 tt0 -66.92 -40.48 87.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 86.6 p -65.84 -48.32 72.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.503 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.74 -35.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 75.9 mtt180 -76.59 -30.53 57.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.477 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 28.6 mt-10 -60.83 -20.55 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.415 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.1 mt -108.64 -31.47 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.599 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.7 p -98.88 -62.06 1.29 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 111.444 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 59.0 t-105 -54.98 -27.62 45.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.249 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -145.9 143.11 29.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 121' ' ' ILE . 4.4 mp -120.94 101.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -137.31 20.32 2.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.1 t -67.22 -21.36 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.021 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HA ' ' NE2' ' A' ' 12' ' ' HIS . 55.5 mtpt 61.63 107.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.186 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -129.31 -46.27 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.01 -52.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' NE2' ' HA ' ' A' ' 9' ' ' LYS . 77.4 m-70 60.27 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.128 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.05 113.38 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.543 ' HB2' HD12 ' A' ' 35' ' ' ILE . 12.9 mm100 -73.63 101.48 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.48 HE21 ' HB1' ' A' ' 34' ' ' ALA . 42.4 mt-30 -127.69 132.43 49.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 -130.35 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.38 147.59 51.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 6.7 mt -146.66 168.89 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -130.54 115.08 16.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.746 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.1 mtp -111.06 145.16 39.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 45.1 t-105 -64.84 109.62 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.656 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.24 100.76 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.9 t -73.34 0.54 11.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.922 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.8 mm -88.25 -61.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.66 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.09 -5.56 47.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.156 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.606 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 7.9 mp0 57.83 72.75 0.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.556 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -170.04 171.17 7.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.738 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -94.6 112.31 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -99.9 139.92 34.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -89.68 121.67 32.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.547 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.48 139.88 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.383 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -76.29 100.24 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.232 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' HB3' HD11 ' A' ' 40' ' ' LEU . 52.3 m -84.46 159.8 20.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.48 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -164.9 116.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.561 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 14' ' ' GLN . 90.7 mt -88.28 115.37 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.265 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.32 117.46 34.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.621 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.41 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 117' ' ' ILE . . . -138.89 -23.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.624 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 56.4 mttp -90.01 167.29 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.493 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 33' ' ' CYS . 46.1 tp -116.77 146.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.227 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' H ' HD12 ' A' ' 40' ' ' LEU . 62.5 p -130.94 115.11 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -101.61 133.31 46.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.725 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -92.05 163.58 13.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -61.71 165.03 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.612 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.27 130.91 27.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 pt -93.86 8.92 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 48' ' ' GLN . 8.1 pt-20 -157.74 -36.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 84.9 mm-40 -101.17 40.26 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.735 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -49.96 128.52 18.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 84.1 mtp -94.18 17.36 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.28 108.42 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.205 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -79.49 -67.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -101.34 11.72 38.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.386 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 28.1 m-80 57.97 66.75 2.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.064 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 4.7 Cg_exo -77.73 19.4 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.966 2.444 . . . . 0.0 112.266 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 tp 60.48 98.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.21 143.83 18.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.649 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.3 m -98.17 -178.75 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.816 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -70.62 -70.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.3 p -66.69 99.11 0.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -82.14 -22.88 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.27 165.86 34.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 73.7 mt -132.97 141.46 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -117.26 93.38 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.195 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.505 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 1.4 p-10 -57.75 104.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -82.62 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -109.67 16.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.9 t -165.26 24.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HD22 ' A' ' 87' ' ' LEU . 9.8 m-85 -114.92 171.46 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.941 0.4 . . . . 0.0 110.787 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.563 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.6 m-20 -130.96 126.64 36.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.174 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.525 ' HB ' ' HG2' ' A' ' 115' ' ' ARG . 25.1 t -95.93 137.12 24.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -139.23 123.59 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.882 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -75.58 104.87 6.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.724 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -79.45 120.81 81.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_endo -81.68 -64.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.101 2.534 . . . . 0.0 113.026 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -52.23 -21.49 3.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.362 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.77 -152.31 17.79 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.259 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 14.3 tppt? -151.11 -70.9 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.302 . . . . 0.0 111.322 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -121.07 90.21 3.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 57.53 13.28 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -104.57 163.74 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.167 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.5 p -108.44 -41.92 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -110.28 109.7 20.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.161 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 78' ' ' LYS . 45.8 t -133.35 148.94 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.894 0.378 . . . . 0.0 111.588 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 15.4 m-85 -130.35 121.72 26.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 60.0 mt -99.93 141.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.127 0.489 . . . . 0.0 112.285 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 69' ' ' TYR . 13.2 mt -104.41 133.49 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.198 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.0 mt-10 -121.22 109.88 34.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.8 Cg_endo -60.36 157.67 34.78 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.424 2.082 . . . . 0.0 112.495 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 48.9 mtpt -126.31 -1.16 6.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.35 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.442 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.2 mt-30 -56.63 -59.06 5.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -168.62 -75.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.25 35.27 2.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.282 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.465 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -69.98 160.25 81.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.483 0.182 . . . . 0.0 110.715 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.5 153.95 15.85 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.751 2.301 . . . . 0.0 112.863 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.28 168.12 15.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.73 123.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.245 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 1.2 mp0 -93.64 144.99 24.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.41 159.73 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.29 142.42 15.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.866 0.365 . . . . 0.0 111.76 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -115.23 -169.57 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -114.2 -25.52 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -128.04 169.16 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.3 -32.39 16.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.01 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.73 -53.14 36.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.587 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.12 -27.98 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.174 0.511 . . . . 0.0 110.054 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.506 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -67.71 -56.49 9.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -66.43 -27.73 68.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.612 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.474 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.1 tp10 -73.82 -58.18 3.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.895 0.378 . . . . 0.0 111.836 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -67.76 -49.07 64.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -67.52 -34.45 77.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.4 tm0? -67.0 -33.14 74.91 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -70.18 -46.33 64.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.918 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.2 mt -56.86 -33.72 42.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HG2' ' HB ' ' A' ' 71' ' ' VAL . 86.4 mtt180 -76.03 -35.65 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.883 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.26 -18.11 24.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.005 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 38' ' ' ALA . 73.5 mt -101.07 -21.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.959 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.2 p -110.23 -58.17 2.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.409 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.434 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 6.6 m95 -56.28 -30.07 61.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.745 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -121.03 139.77 52.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 122' ' ' ASP . 1.1 mt -119.76 -145.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' H ' HG22 ' A' ' 121' ' ' ILE . 10.0 m-20 -126.15 113.99 17.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.3 t -105.85 146.08 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.946 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -94.2 127.27 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -85.25 175.17 9.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -98.3 127.18 44.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -81.78 -75.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -150.34 129.66 12.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -95.55 110.19 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 3.8 pt20 -145.1 148.14 33.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.61 -122.26 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.587 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.18 147.41 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.386 . . . . 0.0 111.133 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -151.25 165.49 33.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -116.37 123.85 48.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.32 146.99 46.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -60.05 129.42 41.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.303 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -112.06 100.44 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.49 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 p -72.03 -8.81 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -59.86 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -104.47 0.49 28.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.282 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 55.24 69.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -171.4 178.72 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.696 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -100.16 141.55 32.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 111.08 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -132.43 166.98 20.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -97.05 120.96 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.215 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -121.1 159.18 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.259 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -107.44 99.72 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.647 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 40' ' ' LEU . 74.2 m -90.85 167.04 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.277 0.56 . . . . 0.0 111.889 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -168.09 118.06 0.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.32 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.37 122.72 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.08 121.1 39.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 64.34 -81.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.253 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' O ' HD23 ' A' ' 66' ' ' LEU . . . -149.8 25.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.443 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.3 mttt -133.76 149.2 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.112 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 33' ' ' CYS . 42.8 tp -107.63 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' HB3' HG12 ' A' ' 63' ' ' ILE . 22.3 p -108.31 129.02 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 111.223 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -113.39 133.69 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.568 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -96.12 177.11 5.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.959 0.409 . . . . 0.0 111.361 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.543 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.0 p-10 -73.11 165.46 24.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -48.78 139.62 9.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.823 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -92.54 -25.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 11.0 pt-20 -133.17 -31.07 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 25.7 mt-30 -89.97 31.68 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.8 p -53.13 126.62 21.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.453 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.3 mmt -115.85 95.87 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 46.3 mt-10 -140.53 128.33 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.979 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -67.19 -64.77 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.64 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -117.57 16.93 14.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.651 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 50.0 t-20 56.58 68.88 1.97 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.43 -58.17 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.726 2.284 . . . . 0.0 112.183 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.0 tp -146.29 148.19 32.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.54 57.24 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.1 p -65.83 157.95 29.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.5 -71.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.0 p -60.45 94.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 32.0 mmt180 -86.38 5.45 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.621 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.76 160.47 9.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' HB3' ' A' ' 41' ' ' SER . 80.3 mt -142.64 125.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.8 mm? -93.72 95.34 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.139 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -63.39 98.14 0.15 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 64' ' ' LEU . 3.7 mm? -50.61 -39.54 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.871 0.367 . . . . 0.0 111.246 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -59.19 -1.14 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.199 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' ' 66' ' ' LEU . 17.0 p -145.27 35.55 1.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -147.46 171.09 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 111.078 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 54.1 m-80 -132.17 168.99 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.842 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.38 137.19 57.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 0.0 111.158 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.17 121.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.872 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 6.0 tmmm? -75.46 104.85 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.707 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -72.63 120.94 83.44 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.959 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.51 ' HB2' ' H ' ' A' ' 76' ' ' GLN . 71.4 Cg_exo -48.02 -94.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.215 2.61 . . . . 0.0 113.798 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.51 ' H ' ' HB2' ' A' ' 75' ' ' PRO . 61.5 tt0 -93.29 64.96 3.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 111.176 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 47.92 -154.85 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.816 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' NZ ' ' HG2' ' A' ' 98' ' ' GLU . 38.3 ttpt -146.44 -64.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.01 -76.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -139.69 9.65 2.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.427 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -94.04 176.45 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.265 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.2 p -123.65 -21.05 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.299 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -128.59 103.3 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.411 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 53.7 t -128.71 155.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 20.5 m-85 -135.97 120.0 17.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.142 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 63.2 mt -99.85 139.72 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.141 0.496 . . . . 0.0 112.321 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 41.2 mt -98.22 134.45 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.055 177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.2 mt-10 -119.47 109.89 37.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.008 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.6 Cg_endo -58.11 158.68 20.88 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.73 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG2' HD21 ' A' ' 70' ' ' ASN . 52.2 mtpt -125.68 -0.2 7.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.475 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -61.54 -62.17 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.03 -89.43 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.34 21.91 6.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.063 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.34 158.54 2.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.27 154.1 14.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.713 2.276 . . . . 0.0 112.871 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.05 168.13 13.77 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.803 2.336 . . . . 0.0 112.208 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HD11 ' A' ' 64' ' ' LEU . 39.5 t -133.22 130.76 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.025 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -98.96 141.39 31.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.958 0.408 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' O ' HG13 ' A' ' 84' ' ' VAL . 33.9 m-85 -129.34 159.92 34.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.374 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.2 161.28 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.399 . . . . 0.0 111.82 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -133.53 -174.04 3.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.728 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -119.01 0.02 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -144.97 161.65 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -78.43 -31.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.25 -51.78 28.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.663 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.92 -29.4 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.501 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.1 tp -63.55 -56.66 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -64.29 -40.47 96.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.552 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.8 -58.53 7.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.47 -49.39 60.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.501 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.7 m-85 -68.15 -30.53 69.67 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.9 tm0? -69.31 -33.82 73.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.8 t -68.99 -44.4 72.92 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.155 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 66' ' ' LEU . 59.2 mt -59.72 -36.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 71.7 mtt180 -76.66 -28.31 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.371 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.569 ' HG2' HG13 ' A' ' 121' ' ' ILE . 17.6 mt-10 -56.63 -18.29 11.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.932 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -108.95 -24.24 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.986 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.4 p -123.65 26.66 7.66 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.507 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 66.6 t-105 -140.13 -9.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.589 0.233 . . . . 0.0 111.247 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? 61.86 115.25 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.569 HG13 ' HG2' ' A' ' 116' ' ' GLU . 11.8 mm -111.64 96.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.997 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -101.09 135.81 41.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.7 p -134.25 132.26 39.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -90.84 123.05 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -134.94 -22.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.7 127.67 33.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -97.21 142.96 28.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -63.52 143.39 57.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -102.28 108.06 19.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -138.06 147.23 43.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.25 -130.5 1.98 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -124.36 153.29 42.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 mt -150.41 174.42 12.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -131.02 139.51 49.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.412 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mtp -132.15 151.73 51.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.612 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.609 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.0 t-105 -73.05 106.92 5.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.501 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -79.48 100.89 7.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -73.72 2.23 8.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.961 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.1 -61.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.893 0.378 . . . . 0.0 110.529 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -94.68 -5.08 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.157 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.609 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 mp0 57.74 73.42 0.47 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.588 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -168.26 -175.5 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.727 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -111.7 110.59 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 146.54 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.15 121.52 31.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -126.82 139.72 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -77.44 106.62 9.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.33 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 34.7 m -91.98 157.56 16.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 111.682 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.41 114.64 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.328 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -88.65 116.98 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.6 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.99 120.28 40.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.723 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.65 -81.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -145.84 5.99 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.547 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -117.17 162.03 18.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.308 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 19.5 tp -125.79 117.28 23.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 p -104.3 117.86 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.24 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -100.31 126.02 46.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.6 p -87.69 174.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.027 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -62.21 163.36 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.98 132.65 54.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.3 pt -87.07 6.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -163.28 -33.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.983 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -88.5 31.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -54.14 -47.48 71.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 95.0 mmm 60.75 12.62 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.257 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -138.03 118.39 13.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.942 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -126.4 -34.31 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' HD3' ' A' ' 55' ' ' PRO . 9.6 m-20 -85.96 -34.35 20.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.186 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.551 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 7.7 t30 -138.82 58.1 12.76 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.788 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 2.6 Cg_endo -83.98 127.49 4.13 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.149 2.566 . . . . 0.0 112.11 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB3' HH12 ' A' ' 61' ' ' ARG . 37.6 tp -61.04 -57.71 11.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.46 -137.95 13.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.604 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t 61.88 170.95 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.884 0.373 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -108.46 -72.85 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 p -60.75 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.455 HH12 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mmm180 -87.03 -11.86 49.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 169.93 161.75 20.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.433 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -135.2 142.75 39.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.218 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 87' ' ' LEU . 8.0 tp -106.91 104.4 14.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.2 m-20 -49.91 -32.72 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 117' ' ' ILE . 86.0 mt 55.72 14.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.066 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -107.04 -12.48 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.1 p -139.26 67.09 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.26 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -153.89 171.12 19.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 86.8 m-20 -136.95 129.35 29.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 87' ' ' LEU . 43.9 t -95.88 125.89 48.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 111.184 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -132.19 123.72 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.017 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -72.44 104.83 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.4 120.91 73.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.555 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.0 Cg_exo -80.05 154.14 22.33 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 123.016 2.478 . . . . 0.0 112.652 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 54.36 19.99 2.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.63 -146.09 44.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.291 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -154.66 -36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.767 0.318 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -135.69 94.79 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 56.79 17.98 3.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -120.35 168.11 11.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 80.6 p -122.07 -38.68 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.331 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -110.62 98.89 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.048 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 99' ' ' PHE . 47.1 t -130.01 145.39 35.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.908 0.385 . . . . 0.0 111.848 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 11.7 m-85 -126.17 125.4 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.552 178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' ' 98' ' ' GLU . 78.5 mt -99.76 140.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.267 0.556 . . . . 0.0 112.232 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD21 ' A' ' 64' ' ' LEU . 85.8 mt -104.42 128.76 52.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.321 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.1 mt-10 -114.47 112.4 46.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.727 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 28.9 Cg_endo -59.22 128.97 29.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.506 2.137 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -81.45 9.37 7.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.67 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 26.3 mm-40 -65.86 -74.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.711 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -164.85 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.775 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -121.2 17.46 9.09 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.813 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -54.01 162.21 1.55 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.778 0.323 . . . . 0.0 111.025 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 72.7 Cg_endo -73.78 147.52 39.78 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.992 2.461 . . . . 0.0 113.116 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -87.39 168.25 7.46 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.998 2.466 . . . . 0.0 112.082 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.24 124.34 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.583 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.97 145.85 24.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.29 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 84' ' ' VAL . 31.9 m-85 -132.97 156.68 46.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.234 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.45 166.78 32.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 111.776 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.3 p -140.38 -174.31 3.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.846 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -125.47 6.66 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -146.23 161.44 40.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -78.0 -41.26 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.54 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.52 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HG ' ' HD2' ' A' ' 111' ' ' PHE . 4.8 tp -63.63 -56.47 15.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.54 -39.65 91.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.409 -179.091 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.81 -57.92 10.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.987 0.422 . . . . 0.0 111.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -68.46 -49.1 62.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HD2' ' HG ' ' A' ' 107' ' ' LEU . 12.3 m-85 -67.62 -30.75 70.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -69.41 -36.28 76.55 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.997 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.21 -34.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 13.5 mtt180 -76.39 -30.98 57.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.942 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 113' ' ' SER . 25.3 mt-10 -57.55 -18.75 21.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.033 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 66' ' ' LEU . 61.5 mt -109.05 -29.8 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 77.7 p -115.19 20.13 15.15 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.5 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 76.5 t-105 -148.66 2.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -79.72 20.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.72 87.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.12 116.29 19.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.9 m -74.36 116.63 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.863 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.819 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.64 18.86 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.826 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -122.72 -27.42 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -89.42 -25.76 21.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 m80 59.8 99.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -146.38 108.2 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -99.0 119.09 37.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 29.3 tt0 -135.02 142.49 46.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.03 -136.58 3.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -120.1 160.81 22.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -162.92 176.01 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.709 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -128.08 145.57 50.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE3' ' HB2' ' A' ' 20' ' ' MET . 48.3 mtm -137.02 134.17 36.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 98' ' ' GLU . 46.6 t-105 -60.06 120.32 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.347 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -108.45 105.82 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.389 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 p -78.75 -0.67 31.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.05 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -77.1 -34.79 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.203 0.525 . . . . 0.0 110.133 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.551 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 9.4 m-20 -127.9 0.09 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.904 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 51.11 70.0 0.58 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.176 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HZ3' ' HB3' ' A' ' 25' ' ' ASP . 3.8 ptpp? -164.31 176.4 9.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.259 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -112.85 111.05 21.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.672 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 p -102.08 158.69 15.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.8 121.9 40.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -119.3 160.16 22.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 60.2 t80 -98.37 95.46 7.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 40' ' ' LEU . 94.4 m -84.79 158.9 20.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.205 0.526 . . . . 0.0 111.884 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.64 121.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.313 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -88.29 117.2 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 111.282 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.822 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 t70 63.85 -81.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 117' ' ' ILE . . . -137.5 -18.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.738 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 54.9 mttp -95.25 173.87 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 33' ' ' CYS . 25.1 tp -126.77 117.65 23.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -100.28 120.7 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -99.88 135.01 41.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 42.8 t -96.62 176.72 5.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.383 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -76.92 165.81 24.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.75 145.64 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.84 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.8 pt -112.01 8.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.292 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -166.54 -33.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -99.17 30.2 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.728 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -55.92 126.35 25.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.41 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.53 -69.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.63 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB3' HD22 ' A' ' 54' ' ' ASN . 45.6 mt-10 55.48 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.21 -71.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -97.45 16.86 18.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.497 HD22 ' HB3' ' A' ' 51' ' ' GLU . 11.2 m120 58.43 66.92 2.35 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.973 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.39 -164.68 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.76 2.306 . . . . 0.0 112.085 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.4 tp -77.57 112.21 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.27 86.39 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.638 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.9 t -99.5 154.17 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.24 -76.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.3 p -61.75 98.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 23.9 mmm180 -84.74 -1.97 56.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.672 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.4 166.84 18.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.337 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.56 137.45 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 ' HG ' ' A' ' 87' ' ' LEU . 18.7 tp -105.41 100.7 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.343 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.3 m-20 -64.98 80.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 117' ' ' ILE . 72.1 mt -50.48 -20.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.548 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -66.33 -39.13 89.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 p -105.32 43.79 1.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 19.2 m-85 -146.35 168.08 21.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.548 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 84.7 m-20 -132.81 136.29 46.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.391 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.51 131.86 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 111.792 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.37 120.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HZ3' ' HZ ' ' A' ' 85' ' ' PHE . 20.2 ttmm -75.81 104.84 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 120.39 79.15 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.384 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 77' ' ' GLY . 56.6 Cg_endo -84.89 -42.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.932 2.421 . . . . 0.0 113.225 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -77.59 25.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.894 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 75' ' ' PRO . . . 56.65 -151.58 24.25 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.663 ' HG2' ' HG2' ' A' ' 98' ' ' GLU . 15.0 tppt? -151.37 -48.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.539 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 50.0 m-80 -152.49 99.14 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.676 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 59.39 12.27 2.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -111.0 167.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -118.32 -34.67 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.231 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -115.96 106.41 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 100' ' ' ALA . 41.9 t -136.45 146.71 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 111.717 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.8 m-85 -123.08 155.81 36.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.506 ' HB ' HG23 ' A' ' 72' ' ' VAL . 52.8 mt -134.5 133.48 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.671 ' HG ' HD21 ' A' ' 64' ' ' LEU . 3.9 mm? -93.66 127.63 39.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.526 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 45.3 mt-10 -111.29 110.38 56.04 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.521 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.29 126.05 16.98 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.442 2.095 . . . . 0.0 112.541 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -84.3 12.47 6.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 15.0 mm100 -61.34 -71.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.223 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.85 27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.116 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.92 12.51 23.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.016 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.591 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -51.13 163.68 0.51 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.696 0.284 . . . . 0.0 111.164 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 29.5 Cg_endo -60.68 142.25 97.3 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.012 2.475 . . . . 0.0 112.951 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.74 168.39 7.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.093 2.529 . . . . 0.0 112.333 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.91 133.64 65.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.663 ' HG2' ' HG2' ' A' ' 78' ' ' LYS . 2.0 mp0 -101.25 142.99 31.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.12 0.486 . . . . 0.0 111.738 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -132.29 156.7 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.151 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.18 154.59 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.951 0.405 . . . . 0.0 111.663 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.0 p -119.77 -169.92 1.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.913 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -114.28 -21.08 10.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -130.63 169.31 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.26 -30.47 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.06 -54.04 14.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.16 -25.09 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.498 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.6 tp -68.54 -56.5 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -66.81 -27.6 67.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.526 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -70.77 -57.8 4.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.937 0.398 . . . . 0.0 111.643 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -69.84 -47.9 60.95 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 32.0 m-85 -67.39 -31.0 70.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.8 tm0? -69.88 -35.65 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 35.7 t -66.32 -48.3 70.76 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.927 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.611 HG23 HD22 ' A' ' 66' ' ' LEU . 48.8 mt -54.56 -34.23 28.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 83.6 mtt180 -76.65 -29.38 56.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.47 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 113' ' ' SER . 27.4 mt-10 -59.28 -20.17 52.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.509 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.8 mp -91.71 -44.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -100.64 -60.33 1.54 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.596 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 76.0 t-105 -55.3 -28.3 52.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.354 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -106.06 146.17 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.56 102.63 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.47 131.76 54.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 62.5 m 61.17 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.21 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.036 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -63.77 137.4 58.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.72 12.73 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 59.9 100.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -140.35 111.61 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -116.18 132.32 56.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -97.78 113.67 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -134.22 139.35 45.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.714 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.7 -121.65 0.75 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -139.48 148.35 42.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.406 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 mt -149.02 178.83 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.674 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -130.98 143.32 50.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.026 0.441 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mtp -130.1 154.31 47.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.791 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -78.66 132.12 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -117.99 101.59 8.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.355 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 p -73.79 -5.89 43.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.0 -51.45 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 0.0 110.346 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.21 -0.33 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.215 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 55.09 69.76 0.7 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.66 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -167.74 176.06 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.735 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -105.46 131.05 53.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 ' HB ' ' OD2' ' A' ' 45' ' ' ASP . 59.5 p -113.49 144.06 43.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -88.44 121.68 31.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.754 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -130.7 134.77 47.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -74.04 104.27 4.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.322 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.53 ' HB3' HD11 ' A' ' 40' ' ' LEU . 60.0 m -84.82 157.43 20.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.142 0.496 . . . . 0.0 111.62 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.36 114.58 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.285 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.5 107.7 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.514 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.19 120.14 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.713 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 63.71 -84.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.79 -10.03 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 94.9 mttt -106.26 146.54 30.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.96 0.41 . . . . 0.0 111.579 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.6 tp -107.64 116.83 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.186 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 m -109.25 116.55 32.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 111.317 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -98.92 138.65 35.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.655 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.8 p -89.33 173.48 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.14 165.8 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 3.8 m-20 -46.1 141.9 3.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 pt -108.74 3.76 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -160.96 -35.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -93.25 28.65 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.7 p -55.34 119.3 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 mmt -104.19 96.36 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.504 ' HB2' HD22 ' A' ' 54' ' ' ASN . 43.8 mt-10 -140.02 140.31 36.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -86.31 -46.8 9.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -120.94 10.75 10.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.262 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.504 HD22 ' HB2' ' A' ' 51' ' ' GLU . 8.9 m120 59.33 64.64 2.98 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 12.6 Cg_exo -70.67 -164.7 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.73 2.287 . . . . 0.0 112.037 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.6 tp -64.83 126.37 27.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.719 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.93 -41.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.753 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m 57.94 -169.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.2 tp -96.64 -73.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.74 111.79 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -92.49 -30.89 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.96 163.93 37.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -133.68 143.76 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 87' ' ' LEU . 7.8 tp -112.91 105.6 13.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.074 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 2.4 p30 -47.1 -39.62 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.7 mt 61.54 5.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.357 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -101.59 -12.2 18.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.922 0.392 . . . . 0.0 110.47 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 89' ' ' PRO . 80.4 p -138.92 69.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -155.8 170.38 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.048 0.451 . . . . 0.0 110.965 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.598 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 52.7 m-80 -137.25 129.83 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.84 178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -95.89 126.11 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -133.4 120.93 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.888 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -70.82 104.79 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.44 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -85.45 121.07 73.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.616 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 4.2 Cg_exo -80.68 157.2 21.5 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.986 2.457 . . . . 0.0 112.465 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 55.33 18.03 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.38 -148.33 44.16 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.247 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -153.62 -34.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.726 0.298 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -141.17 97.02 3.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.957 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 56.54 18.98 3.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 67.6 mmtt -123.09 167.84 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -121.02 -38.57 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -111.45 100.99 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.044 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 99' ' ' PHE . 57.3 t -131.57 144.47 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 111.799 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.515 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.1 m-85 -123.76 127.79 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.596 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.581 HG12 ' HG3' ' A' ' 98' ' ' GLU . 80.2 mt -100.84 138.81 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.206 0.527 . . . . 0.0 112.141 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 64' ' ' LEU . 77.9 mt -104.52 126.56 51.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.401 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.4 mt-10 -112.21 105.83 56.19 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.55 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 26.4 Cg_endo -60.38 140.18 90.38 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.593 2.195 . . . . 0.0 112.745 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG2' HD21 ' A' ' 70' ' ' ASN . 46.3 mtpt -103.59 8.96 37.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.32 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 92' ' ' GLN . 8.7 tt0 -65.36 -57.4 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.602 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 10.6 pt20 -177.18 67.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.276 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.38 9.83 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.81 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 2.0 m-20 -45.73 161.16 0.26 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.448 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 30.0 Cg_endo -61.06 146.56 97.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.001 2.468 . . . . 0.0 112.772 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -85.75 168.16 9.68 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.793 2.328 . . . . 0.0 112.282 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 t -134.4 124.91 46.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.581 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.2 mp0 -93.21 147.82 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 84' ' ' VAL . 29.3 m-85 -134.49 155.31 50.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.451 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -150.27 166.44 29.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.997 0.427 . . . . 0.0 111.849 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.0 p -139.57 -169.76 2.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.748 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.32 0.7 6.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -144.21 166.25 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.36 -40.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.277 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.92 -47.14 72.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.08 -33.26 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.092 0.473 . . . . 0.0 110.003 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.76 -56.19 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.367 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 3.4 m-85 -63.96 -27.77 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.822 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -76.96 -58.07 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -68.05 -40.4 82.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 27.9 m-85 -75.23 -32.32 61.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.15 -29.11 65.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 54.1 m -74.0 -51.19 16.7 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.307 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.9 -40.12 34.84 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 119' ' ' TRP . 45.6 ttt180 -68.97 -40.95 78.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.759 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 -17.8 14.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 mt -106.01 -21.36 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.877 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -111.27 7.27 21.03 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.007 0.432 . . . . 0.0 111.189 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.564 ' HB2' ' O ' ' A' ' 115' ' ' ARG . 5.7 m95 -133.81 33.68 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.756 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' HB3' ' NZ ' ' A' ' 120' ' ' LYS . 7.9 mtpm? -80.58 20.64 0.7 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 121' ' ' ILE . 4.0 mp -91.28 91.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.785 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.51 127.92 34.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.4 p -76.95 130.88 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.004 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -90.03 126.76 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -139.18 151.02 46.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -133.31 110.33 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -135.5 -64.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 59.82 101.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.651 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.4 mm100 -66.51 100.92 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.476 HE21 ' HB1' ' A' ' 34' ' ' ALA . 41.8 mt-30 -125.55 131.81 52.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.9 -133.37 2.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.06 135.91 46.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -138.81 165.1 27.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -112.49 137.82 50.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.5 mtp -131.38 146.73 52.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.704 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -65.93 125.93 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.501 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.59 94.44 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.3 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.1 t -70.65 -6.77 39.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.213 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.0 -41.29 92.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.426 0.632 . . . . 0.0 109.537 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.94 -0.01 8.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.085 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 52.57 74.03 0.31 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.815 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -169.71 175.92 5.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.882 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -102.8 125.81 49.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.67 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' NE2' ' A' ' 48' ' ' GLN . 23.3 p -119.46 164.59 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -95.61 130.72 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.71 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -129.29 151.4 49.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 78.8 t80 -95.68 95.88 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.807 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.9 m -87.14 161.2 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.246 0.546 . . . . 0.0 111.654 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -168.86 117.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.305 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 14' ' ' GLN . 73.6 mt -88.41 109.65 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 111.386 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.02 127.04 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.96 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.65 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -139.39 -5.14 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.641 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.3 mttm -107.61 152.8 23.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 33' ' ' CYS . 13.8 tp -107.57 116.33 31.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 117.53 34.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.796 0.332 . . . . 0.0 111.25 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -98.89 135.68 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 44.2 t -95.67 162.53 13.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.295 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.578 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . 4.8 p-10 -65.85 165.49 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.781 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.562 ' HB2' ' HA ' ' A' ' 49' ' ' THR . 16.0 m-20 -48.67 152.71 0.92 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.1 pt -115.3 -23.3 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.483 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 10.2 pt-20 -127.29 -31.19 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.153 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mt-30 -106.37 38.26 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 79.6 p -56.12 140.91 42.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.373 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.3 mtt -96.17 10.64 37.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 43.9 mt-10 -58.67 129.24 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.82 -64.97 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.416 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -112.61 14.6 20.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 1.9 m-20 56.43 66.44 3.37 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.863 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.9 -58.37 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.713 2.275 . . . . 0.0 112.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -162.48 140.13 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -137.32 72.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.6 t -77.29 158.73 30.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 163.11 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.8 m 60.85 98.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.251 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 28.4 tpt180 -92.96 -29.74 15.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.488 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.91 153.3 22.44 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.179 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.6 143.63 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.998 0.428 . . . . 0.0 111.372 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -115.71 93.0 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.175 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -55.16 98.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.507 179.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 64' ' ' LEU . 79.7 mt -74.14 22.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.495 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 13.7 m120 -107.24 -13.16 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.3 p -138.97 63.03 1.52 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.594 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.9 171.51 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.1 m-20 -137.51 131.24 31.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.267 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.9 t -96.35 129.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.399 . . . . 0.0 111.404 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -134.74 120.78 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.865 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -74.99 105.05 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.17 121.21 76.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.572 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.4 158.5 29.3 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.787 2.325 . . . . 0.0 112.778 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 58.73 11.03 1.65 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.05 -172.94 4.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.536 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' HD2' ' HG2' ' A' ' 98' ' ' GLU . 40.6 ttmt -136.71 151.94 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.558 0.218 . . . . 0.0 110.548 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 67.98 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -143.37 17.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -104.99 174.99 5.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.4 p -120.46 -26.21 5.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.155 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -127.12 101.91 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.572 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.6 t -130.04 147.49 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 13.1 m-85 -123.81 151.28 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.989 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' HG3' ' A' ' 98' ' ' GLU . 69.6 mt -128.27 134.93 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.236 0.541 . . . . 0.0 112.335 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 64' ' ' LEU . 31.4 mt -97.82 126.79 43.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.492 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.1 mt-10 -113.59 110.56 49.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.514 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -56.08 149.36 53.7 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.58 2.187 . . . . 0.0 112.764 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -116.46 3.49 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.397 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 34.7 mt-30 -66.61 -64.05 0.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -159.9 -91.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.69 21.98 7.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.073 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.55 159.17 2.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.553 0.216 . . . . 0.0 110.801 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.02 153.31 16.79 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.692 2.261 . . . . 0.0 112.962 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.92 168.18 12.38 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.895 2.396 . . . . 0.0 112.242 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.08 127.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.548 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -96.28 143.65 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -130.86 162.76 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.688 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.04 155.25 27.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 111.8 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.9 p -130.35 179.3 6.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.797 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -115.57 5.58 14.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -144.86 155.98 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.9 p -77.95 -30.13 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.07 -51.62 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.46 -27.32 65.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.046 0.45 . . . . 0.0 109.999 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.513 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.9 tp -66.4 -56.85 9.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.568 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.503 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.92 -27.46 66.65 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.155 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -72.63 -58.15 3.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.813 0.339 . . . . 0.0 111.903 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.513 ' HE2' HD12 ' A' ' 107' ' ' LEU . 36.8 m-85 -66.22 -45.88 79.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 7.5 tp60 -58.75 -38.15 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.859 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.7 t -66.82 -48.71 68.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.84 -34.98 20.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.532 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 41.9 ttt180 -75.73 -37.69 59.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.809 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 37.2 mt-10 -60.51 -18.14 50.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.205 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -21.69 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.194 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -102.85 -57.15 2.1 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.056 0.455 . . . . 0.0 110.64 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.532 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 3.2 m95 -56.68 -34.72 67.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.709 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -131.99 145.06 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 122' ' ' ASP . 1.6 mm -99.11 -143.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.416 ' H ' HG22 ' A' ' 121' ' ' ILE . 4.7 p-10 -162.03 163.58 28.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.688 0.28 . . . . 0.0 110.741 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.3 p 50.41 -166.3 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.465 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 58.4 tptt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.87 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.675 0.274 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.5 ttpm? 59.85 100.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 60.45 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.31 170.47 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -138.31 107.4 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -138.63 147.04 42.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.658 ' HB2' HD12 ' A' ' 35' ' ' ILE . 11.5 mm100 -76.66 100.68 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.05 135.51 47.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.533 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.13 -135.32 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.725 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -128.0 136.18 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.016 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 mt -135.43 161.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -104.42 139.33 39.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 77.6 mtp -136.44 138.26 41.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.718 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.21 126.8 29.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.522 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.18 103.62 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.294 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.3 p -77.34 -2.65 36.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.438 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -74.61 -46.68 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.438 . . . . 0.0 110.337 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.5 -0.19 11.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.052 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 54.8 72.46 0.47 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.658 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HE3' ' HG3' ' A' ' 50' ' ' MET . 25.3 pttm -171.46 176.96 3.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.848 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -105.52 131.88 52.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -125.26 168.21 13.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -95.63 124.01 39.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.697 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -120.36 144.89 47.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -98.74 96.27 7.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.862 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' HD11 ' A' ' 40' ' ' LEU . 10.2 p -106.85 167.1 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 0.0 111.832 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.39 131.44 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 14' ' ' GLN . 67.1 mt -88.66 109.42 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 111.403 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.07 119.6 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.69 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.18 -83.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -138.93 -14.73 1.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.805 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 52.6 mttp -97.17 148.75 22.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.042 0.448 . . . . 0.0 111.834 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 33' ' ' CYS . 38.0 tp -109.98 117.16 33.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.758 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -110.27 122.18 47.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 53.0 p90 -108.05 143.8 36.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.011 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.3 t -97.8 175.8 6.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.41 165.38 25.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB2' HG22 ' A' ' 49' ' ' THR . 23.1 m-20 -51.19 147.61 5.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 pt -113.33 1.7 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.51 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HG3' ' HG3' ' A' ' 48' ' ' GLN . 11.0 pt-20 -162.26 -34.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 49.7 mt-30 -98.9 34.27 2.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 51' ' ' GLU . 67.4 p -55.74 -53.25 58.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.368 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HG3' ' HE3' ' A' ' 27' ' ' LYS . 26.0 mmt 56.26 30.87 17.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' HG3' ' HB ' ' A' ' 49' ' ' THR . 44.5 mt-10 -54.68 136.96 45.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.83 -63.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -114.98 16.15 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.53 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 57.59 69.98 1.44 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.769 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.67 -161.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.806 2.337 . . . . 0.0 112.113 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.92 -70.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.74 77.89 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 m -99.7 178.93 4.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.04 151.89 45.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t 58.79 92.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.153 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 4.6 mmp_? -92.18 -5.3 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.673 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.0 157.69 17.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -141.16 125.47 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.639 0.257 . . . . 0.0 111.373 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.2 mm? -87.67 109.08 19.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.2 m-20 -49.3 -26.79 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.747 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 38' ' ' ALA . 76.6 mt 56.14 14.2 1.42 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -110.29 -12.89 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.1 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.3 p -142.23 64.95 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -151.08 171.33 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.625 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 55.3 m-80 -135.65 129.25 32.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.101 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' CD2' ' A' ' 87' ' ' LEU . 45.6 t -96.35 133.11 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.875 0.369 . . . . 0.0 111.218 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -138.46 120.61 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.05 104.66 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.793 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -70.87 120.53 79.79 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 11.2 Cg_exo -71.2 -66.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.936 2.424 . . . . 0.0 112.924 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.63 30.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.988 0.423 . . . . 0.0 110.889 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.49 -146.07 26.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.138 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' ' 86' ' ' ILE . 15.4 mtpp -155.87 -44.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.677 0.275 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -140.2 98.5 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.323 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 53.86 18.74 1.69 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.422 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD2' ' HB1' ' A' ' 100' ' ' ALA . 70.4 mmtt -120.98 160.69 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.223 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -112.3 -48.22 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.208 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -101.32 100.73 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.956 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.8 t -126.09 154.88 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.478 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 28.3 m-85 -136.17 129.68 32.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.241 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.587 HD11 ' HD2' ' A' ' 78' ' ' LYS . 43.6 mt -110.79 136.21 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 71' ' ' VAL . 47.2 mt -99.44 125.97 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.572 178.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 40.3 mt-10 -112.18 106.5 56.09 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.48 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 17.6 Cg_endo -57.09 154.54 33.04 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.929 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HG2' HD21 ' A' ' 70' ' ' ASN . 50.9 mtpt -126.82 1.4 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.452 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 57.9 tt0 -62.11 -56.88 14.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -166.37 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -134.97 29.04 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.202 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -61.91 159.68 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.58 0.229 . . . . 0.0 110.654 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 81.5 Cg_endo -86.85 143.66 7.1 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.809 2.339 . . . . 0.0 112.956 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.8 Cg_exo -70.66 167.37 25.82 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.818 2.345 . . . . 0.0 111.829 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.7 t -139.74 126.01 22.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.773 0.32 . . . . 0.0 111.353 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.3 mp0 -94.67 143.26 26.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -130.24 161.36 31.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.635 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 81' ' ' LYS . . . -159.08 163.34 36.34 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 111.574 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.7 p -140.93 -170.44 3.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -128.9 3.62 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 2.7 mmp_? -145.87 151.03 37.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.008 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.92 -28.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.175 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -70.75 -53.01 17.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.15 -29.66 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.45 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HE2' ' A' ' 111' ' ' PHE . 2.7 tp -67.61 -56.74 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.766 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -66.48 -27.64 67.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.537 -179.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.56 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -68.54 -49.54 58.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.531 ' HE2' HD12 ' A' ' 107' ' ' LEU . 40.4 m-85 -67.04 -41.55 86.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 21.6 tp60 -61.52 -35.71 78.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 64.8 m -68.1 -43.51 78.31 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.894 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.09 -33.96 47.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 119' ' ' TRP . 89.5 mtt180 -76.44 -33.38 58.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.98 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.467 ' HA ' ' HB3' ' A' ' 120' ' ' LYS . 29.7 mt-10 -57.79 -19.26 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.218 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.454 HD12 HD13 ' A' ' 66' ' ' LEU . 61.4 mt -108.83 -30.91 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.548 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.8 p -107.34 23.73 13.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.783 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 115' ' ' ARG . 49.9 t-105 -162.65 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.652 0.263 . . . . 0.0 111.191 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 41.2 ttmt -102.53 143.4 32.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mm -116.75 99.43 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -136.18 105.4 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.3 p -140.54 -2.81 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 124' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.727 0.299 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 59.55 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.046 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.95 -37.2 72.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.39 110.15 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -150.33 107.79 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -102.97 139.35 38.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -98.3 115.83 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -139.91 142.21 36.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.37 -129.3 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.636 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.85 160.03 39.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -161.12 159.06 28.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -109.48 135.36 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -132.24 139.89 48.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.708 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.602 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 44.2 t-105 -55.09 108.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.701 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.09 99.34 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -73.11 0.18 12.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.969 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.16 -62.02 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -93.98 -5.57 47.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.602 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.4 mp0 57.76 72.87 0.49 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.446 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -171.27 169.6 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -96.99 133.1 42.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -135.99 163.29 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -95.2 129.35 42.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.61 156.8 41.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.808 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -97.96 100.1 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' LEU . 73.2 m -93.02 163.18 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.081 0.467 . . . . 0.0 111.799 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.77 123.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.6 mt -88.79 123.54 41.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.384 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.02 138.49 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.115 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.25 45.25 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . 60.93 15.27 5.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.378 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.7 mttt -123.78 171.65 9.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.978 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 33' ' ' CYS . 35.3 tp -131.0 117.33 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.767 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -105.87 126.22 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -111.46 133.73 53.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -87.93 177.1 7.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.315 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.41 165.82 16.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.679 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -43.38 117.05 1.03 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 47' ' ' GLU . 41.8 pt -85.14 -36.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.233 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 46' ' ' ILE . 10.0 pt-20 -115.73 -27.58 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.02 30.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.4 p -49.13 116.7 1.78 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.3 mtm -95.25 1.48 54.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.31 148.51 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.05 -51.93 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.747 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -138.16 18.2 2.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 56.91 66.0 3.46 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.909 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.09 -60.65 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.641 2.227 . . . . 0.0 112.173 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.8 tp -142.73 110.59 5.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.815 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.59 86.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.6 m -65.15 147.98 52.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -68.47 -18.47 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 p -106.47 94.29 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.5 tpm_? -88.12 -20.39 25.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.46 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.03 155.93 12.79 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 34.3 mt -138.42 141.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 111.705 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.4 mm? -99.92 111.57 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.92 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.521 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 9.3 m-20 -51.42 -27.23 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' O ' HG22 ' A' ' 118' ' ' THR . 94.4 mt 60.63 5.04 0.83 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.296 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.21 -8.44 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 62.1 p -141.76 57.14 1.5 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -150.52 171.42 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 53.1 m-80 -137.26 131.05 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.256 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 87' ' ' LEU . 33.7 t -96.14 134.91 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.929 0.395 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -137.59 120.79 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -74.76 104.48 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.569 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -76.36 120.58 82.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.194 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 5.3 Cg_exo -78.04 -70.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.023 2.482 . . . . 0.0 112.745 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.04 -15.14 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.1 161.25 6.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.237 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE3' ' HG2' ' A' ' 98' ' ' GLU . 14.1 ttpp -116.92 165.36 13.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.761 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 62.75 -92.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.254 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.446 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.6 OUTLIER -144.0 9.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.929 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -98.19 173.54 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.51 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -112.95 -61.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.27 98.45 11.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.751 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 90.0 t -125.15 154.13 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 111.684 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 19.7 m-85 -134.44 119.44 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 45.0 mt -100.0 139.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 71' ' ' VAL . 36.3 mt -101.53 130.04 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.203 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.1 mt-10 -115.12 107.3 50.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.695 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 18.8 Cg_endo -57.76 153.17 44.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.589 2.193 . . . . 0.0 112.731 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG2' HD21 ' A' ' 70' ' ' ASN . 50.4 mtpt -120.79 0.45 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.343 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.85 -63.1 1.42 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.52 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.12 21.89 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.965 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -53.27 158.0 2.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 88.2 Cg_endo -85.92 143.1 8.01 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.941 2.427 . . . . 0.0 112.84 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 11.8 Cg_exo -71.23 168.08 24.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.779 2.319 . . . . 0.0 111.952 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.08 127.04 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.5 mp0 -95.53 142.29 28.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 111.244 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -131.51 147.62 52.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.508 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.86 151.27 34.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.949 0.404 . . . . 0.0 111.762 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.8 p -121.6 -169.76 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.827 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.83 2.55 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -145.06 162.28 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.17 -32.94 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.98 -50.65 32.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.78 -28.64 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.3 tp -67.86 -56.41 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.953 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -66.63 -27.62 67.84 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.59 -179.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.26 -57.99 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 111.867 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -68.75 -46.41 68.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HE2' HD12 ' A' ' 107' ' ' LEU . 30.3 m-85 -70.44 -31.0 67.99 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -70.12 -33.23 71.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.3 m -68.33 -45.27 73.36 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.014 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.2 -35.35 57.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-O 121.258 0.551 . . . . 0.0 109.525 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.9 mtt180 -76.13 -27.96 57.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.214 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.84 -18.82 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.233 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.7 mt -108.2 -31.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.402 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 66' ' ' LEU . 77.5 p -98.15 -61.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.986 0.422 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.481 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 57.1 t-105 -60.29 -24.69 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -118.13 114.2 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.84 120.46 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.29 80.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.76 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 97.4 m -156.88 -59.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.007 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.838 0.351 . . . . 0.0 110.817 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -92.24 179.98 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -121.13 117.77 28.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 13' ' ' LYS . 41.2 tt0 -94.08 122.54 36.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -96.35 4.19 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 11' ' ' GLU . 57.1 mtpt 60.39 104.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.245 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.548 ' HB2' HD12 ' A' ' 35' ' ' ILE . 13.8 mm100 -63.79 142.47 58.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.211 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 51.4 tt0 -169.14 137.75 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.674 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' N ' ' HZ2' ' A' ' 110' ' ' TRP . . . 167.79 -132.9 2.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.96 136.63 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -138.02 166.36 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -110.36 140.83 44.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 81.2 mtp -138.01 136.91 37.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.664 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -56.24 122.11 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.449 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -104.95 102.1 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.38 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 p -76.25 -3.51 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.2 mm -72.88 -50.94 29.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.44 0.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.079 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 54.37 72.65 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.77 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HE2' HG22 ' A' ' 29' ' ' THR . 24.6 pttm -171.73 176.44 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -106.26 116.32 31.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.499 HG22 ' HE2' ' A' ' 27' ' ' LYS . 30.3 p -110.37 169.25 8.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -90.47 125.52 35.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -122.54 154.28 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.031 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -107.43 99.1 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.663 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' HB3' HD11 ' A' ' 40' ' ' LEU . 72.4 m -92.13 166.23 12.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.536 . . . . 0.0 111.936 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -171.86 119.77 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.269 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 14' ' ' GLN . 86.2 mt -88.57 114.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.098 0.475 . . . . 0.0 111.651 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.74 130.43 39.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.768 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 59.59 46.5 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.215 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 117' ' ' ILE . . . 61.22 14.1 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.621 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 83.9 mttt -119.87 145.57 46.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 111.468 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.9 tp -107.87 116.98 32.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.127 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.0 p -112.68 120.39 41.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.242 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -105.87 130.88 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -87.78 162.39 17.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.16 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -67.7 165.61 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.62 133.35 3.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.3 pt -98.78 -35.13 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -129.47 -26.05 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.98 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.1 19.3 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -54.77 142.52 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.7 mtp -129.76 17.89 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.37 170.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -79.1 -69.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -120.78 26.31 9.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.718 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 3.5 p-10 40.83 64.69 4.79 Favored Pre-proline 0 N--CA 1.462 0.162 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.301 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 25.2 Cg_exo -62.9 -59.94 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.674 2.249 . . . . 0.0 112.276 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.5 tp -147.14 121.02 9.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.08 -39.68 4.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.7 p 50.4 -165.59 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 60' ' ' CYS . 23.8 tp -134.68 167.59 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.74 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 t 59.99 86.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -80.98 -28.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.493 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.57 161.06 34.81 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.066 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.0 mt -139.75 135.74 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.582 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.4 mm? -103.17 108.96 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.871 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.584 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -49.22 -30.59 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.687 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.0 mt 62.08 4.78 1.27 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.54 -12.63 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.082 0.468 . . . . 0.0 110.167 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.0 p -141.18 62.64 1.46 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.059 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -150.78 171.64 16.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.2 m-20 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 87' ' ' LEU . 70.1 t -96.15 134.66 32.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.77 120.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.839 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -76.18 104.56 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.625 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . . . -74.43 119.88 78.68 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.546 ' HG2' ' H ' ' A' ' 76' ' ' GLN . 91.2 Cg_endo -80.82 -63.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.789 2.326 . . . . 0.0 113.415 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.546 ' H ' ' HG2' ' A' ' 75' ' ' PRO . 66.4 mt-30 -60.14 -10.68 4.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.1 51.33 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.108 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HD2' HD11 ' A' ' 86' ' ' ILE . 45.1 mtpt -141.8 149.87 40.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.778 0.323 . . . . 0.0 111.09 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.28 -85.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.176 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -146.67 13.64 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.97 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -101.96 166.97 10.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.9 m -106.14 -56.17 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.048 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.41 105.14 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.781 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 79.4 t -127.5 153.97 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 111.883 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 24.3 m-85 -135.21 126.09 27.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 78' ' ' LYS . 48.0 mt -107.57 137.92 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 71' ' ' VAL . 42.7 mt -99.43 128.32 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.285 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 41.6 mt-10 -114.56 108.14 49.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.625 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.448 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 16.2 Cg_endo -55.78 150.53 44.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.409 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -118.24 3.43 11.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.416 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 23.0 mt-30 -64.76 -61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -162.13 -91.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.68 22.13 7.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.963 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -54.42 158.44 4.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.613 0.244 . . . . 0.0 110.759 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.98 153.92 17.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.752 2.302 . . . . 0.0 113.015 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -85.85 168.23 9.52 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.968 2.445 . . . . 0.0 112.29 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -135.32 133.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.296 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -100.99 140.56 35.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' HG13 ' A' ' 84' ' ' VAL . 40.6 m-85 -129.28 158.41 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.54 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.03 153.23 23.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -121.74 -169.46 1.87 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -120.66 -10.6 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -138.55 166.69 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.0 -32.53 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.4 -49.39 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.17 -28.73 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.2 tp -67.19 -56.67 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.0 -27.54 67.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.566 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.463 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -73.55 -58.32 3.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.861 0.363 . . . . 0.0 111.836 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.416 ' HZ2' ' N ' ' A' ' 16' ' ' GLY . 23.5 m95 -67.64 -49.22 64.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.524 ' HE2' HD12 ' A' ' 107' ' ' LEU . 31.1 m-85 -66.44 -41.39 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 21.9 tm0? -59.83 -36.14 76.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 47.0 t -66.5 -43.97 83.86 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.921 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.61 -33.23 48.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 11.3 mtt180 -76.41 -29.99 57.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.019 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 113' ' ' SER . 31.2 mt-10 -63.03 -18.72 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.399 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 38' ' ' ALA . 65.5 mt -107.85 -30.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.599 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' LEU . 69.6 p -101.35 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.3 t-105 -61.45 -21.25 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -125.09 162.87 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 69.2 mt -132.49 106.45 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.74 19.57 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.9 t -143.25 145.46 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.903 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.25 18.27 9.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.113 0.482 . . . . 0.0 110.675 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -116.63 134.7 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.69 -71.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -162.28 20.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.2 mmmp? -56.57 124.34 17.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.962 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.486 ' NE2' ' HG3' ' A' ' 109' ' ' GLU . 1.4 mm-40 -133.11 142.44 48.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 61.5 tt0 -167.08 137.36 3.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.75 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.64 -143.85 8.0 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.38 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.6 143.92 44.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -144.59 173.65 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -126.39 138.55 53.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -134.83 147.61 49.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.648 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -64.97 129.99 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.68 104.07 10.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.447 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.8 p -74.51 -6.02 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.179 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mm -71.25 -49.15 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -114.43 1.92 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.099 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 51.05 68.19 0.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -166.51 178.84 5.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.992 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -106.11 113.25 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.766 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.555 HG22 HE22 ' A' ' 48' ' ' GLN . 80.4 p -99.93 163.54 12.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -104.81 121.77 44.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.61 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 135.76 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -73.84 96.75 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.182 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HB3' HD11 ' A' ' 40' ' ' LEU . 71.6 m -85.67 159.92 19.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.448 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . . . -167.39 125.06 1.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.9 mt -88.79 106.65 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.253 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.19 41.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.846 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 64.29 -83.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.29 2.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.585 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 98.0 mttt -115.69 150.48 36.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 111.444 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.7 tp -107.77 117.52 34.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.075 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -114.58 124.34 51.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 111.366 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -109.44 131.87 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.537 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.9 p -87.89 171.76 10.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.244 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.5 165.44 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' OD2' ' HB ' ' A' ' 29' ' ' THR . 4.5 m-20 -45.25 138.56 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 pt -99.96 11.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.398 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -163.39 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.555 HE22 HG22 ' A' ' 29' ' ' THR . 24.1 mt-30 -73.07 -33.98 65.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.774 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.6 p 50.5 -81.01 0.01 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLN . 55.5 mtm 64.66 93.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.791 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -134.94 124.38 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -60.16 -50.89 71.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.26 21.53 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.575 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 55.29 69.61 1.92 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.657 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.29 -52.9 2.25 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.693 2.262 . . . . 0.0 112.413 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.2 tp -159.86 -66.25 0.07 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.72 55.64 1.99 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -64.76 173.55 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 59' ' ' LEU . 7.4 tt -86.58 -74.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.706 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 p -62.39 106.74 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -95.91 -40.96 9.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.701 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.43 153.51 24.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.126 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mt -142.43 137.64 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 111.593 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -98.31 113.28 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.931 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.0 m-20 -49.16 -34.33 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.829 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.2 mt 60.97 5.12 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.381 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -97.8 -19.35 18.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.05 0.452 . . . . 0.0 110.144 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.2 p -139.59 70.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.21 171.44 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 91.5 m-20 -138.9 130.9 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.264 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.0 t -95.99 129.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 0.0 111.138 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.9 OUTLIER -135.85 120.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.968 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.33 104.73 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -84.36 121.34 75.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 6.3 Cg_exo -79.48 153.32 23.7 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.923 2.415 . . . . 0.0 112.597 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.24 23.23 4.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.94 -141.77 48.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.305 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -154.45 -39.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.73 0.3 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.19 -81.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -129.9 9.7 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.077 0.465 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -97.35 -174.34 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.192 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.0 m -131.16 -35.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.996 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -114.07 96.25 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.661 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.515 HG22 ' HB2' ' A' ' 100' ' ' ALA . 40.2 t -125.75 146.29 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.007 0.432 . . . . 0.0 112.047 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 18.5 m-85 -123.24 139.56 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.009 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.543 HG12 ' HG3' ' A' ' 98' ' ' GLU . 67.2 mt -116.43 137.49 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.249 0.547 . . . . 0.0 112.474 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.2 mt -99.74 128.17 45.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.485 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.3 mt-10 -115.38 109.13 46.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.496 -179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 12.4 Cg_endo -54.42 153.08 23.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.54 2.16 . . . . 0.0 112.595 -179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -120.92 1.44 10.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.495 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 6.2 tp-100 -64.06 -63.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.108 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.45 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.596 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.36 37.99 2.09 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.552 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -75.7 159.5 81.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.523 0.201 . . . . 0.0 110.595 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.19 153.22 16.39 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.686 2.257 . . . . 0.0 112.93 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.51 168.23 13.0 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.755 2.303 . . . . 0.0 112.211 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.6 t -139.51 133.54 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.716 0.293 . . . . 0.0 111.47 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.543 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.3 mp0 -102.5 143.01 32.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.234 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 84' ' ' VAL . 38.0 m-85 -130.97 158.97 38.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.515 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -159.21 153.73 24.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.987 0.422 . . . . 0.0 111.9 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -121.31 -169.89 1.93 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.718 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -119.81 -1.68 10.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 93.6 mtt180 -146.42 164.13 33.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.01 -31.48 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.09 -52.01 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 103' ' ' ARG . 5.7 mm-40 -59.56 -26.62 65.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 0.0 110.033 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.5 tp -67.84 -56.69 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.886 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -66.5 -27.4 67.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.517 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.486 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 10.0 tp10 -72.89 -58.23 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.376 . . . . 0.0 111.863 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -68.37 -49.05 62.91 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -65.27 -42.59 93.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -58.98 -36.47 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 55.5 m -66.3 -42.97 87.56 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.799 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.46 -32.7 49.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 13.1 mtt180 -75.7 -29.82 59.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 113' ' ' SER . 34.5 mt-10 -65.75 -17.98 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.907 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.32 -31.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.7 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -108.38 -60.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 111.514 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 74.6 t-105 -58.91 -18.42 33.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' HG3' ' H ' ' A' ' 121' ' ' ILE . 19.8 tptm -83.36 174.31 10.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.556 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 64.2 mt 65.55 105.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.79 -174.16 4.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.4 t -75.46 -11.82 60.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 124' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -112.17 21.34 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.796 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 59.8 97.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 57.35 -172.78 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -141.83 143.21 33.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -97.2 101.88 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -102.53 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.76 146.66 47.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.32 -129.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.457 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -139.48 144.19 37.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.92 169.95 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.739 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.07 142.08 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.5 mtp -134.66 137.97 44.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -60.79 123.17 16.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.381 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.76 105.82 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 p -80.31 -0.36 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.246 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.97 -39.25 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.296 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.52 -0.43 8.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.892 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.78 72.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.509 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -169.81 176.09 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.924 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -106.23 132.91 51.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.731 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 48' ' ' GLN . 71.1 p -130.53 165.0 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -90.49 121.53 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -119.65 129.22 54.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -73.94 103.33 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.276 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . 92.4 m -93.96 160.66 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.653 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.27 117.47 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.536 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -88.71 123.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 111.441 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 139.48 20.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.31 43.82 19.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 61.11 16.89 7.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 97.9 mttt -123.92 170.31 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 33' ' ' CYS . 26.6 tp -130.84 117.35 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' HB3' HG12 ' A' ' 63' ' ' ILE . 35.8 p -106.71 120.65 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -104.73 138.7 40.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.132 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.4 m -92.97 159.13 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.62 ' HB3' ' HE ' ' A' ' 61' ' ' ARG . 5.9 p-10 -61.26 165.76 4.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.762 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.14 121.74 5.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG13 ' HG3' ' A' ' 47' ' ' GLU . 41.2 pt -95.8 -31.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.643 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG3' HG13 ' A' ' 46' ' ' ILE . 34.7 mt-10 -93.39 -47.96 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.031 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' HG3' HG22 ' A' ' 29' ' ' THR . 85.1 mm-40 -80.54 -43.49 20.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.731 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p 52.02 110.12 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.862 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.2 mmm -101.52 95.64 6.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.996 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 46.2 mt-10 -145.47 102.83 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.92 -57.89 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.775 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -119.01 17.96 13.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 16.9 m120 57.96 67.69 2.18 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.03 -59.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.727 2.285 . . . . 0.0 112.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.0 tp -164.0 103.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.44 54.29 4.15 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.418 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -63.04 172.63 1.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 59' ' ' LEU . 2.7 tm? -87.19 -67.18 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -61.03 102.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HE ' ' HB3' ' A' ' 44' ' ' ASP . 12.1 tpp180 -90.99 -13.92 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.39 154.57 8.13 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.959 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 41' ' ' SER . 36.2 mt -135.43 142.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.643 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.7 mm? -104.06 110.73 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.912 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 10.4 m-20 -50.97 -27.79 8.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 96.7 mt 60.03 4.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -99.15 -12.79 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.275 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.2 p -139.49 61.56 1.55 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 88' ' ' GLU . 20.3 m-85 -151.7 170.85 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.042 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.594 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 88.6 m-20 -137.97 130.85 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.383 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -96.4 125.92 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.158 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -132.13 121.45 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.961 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -74.56 104.69 5.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.507 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -78.28 120.7 82.11 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.356 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.7 Cg_exo -76.38 156.7 37.02 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.998 2.465 . . . . 0.0 112.528 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 56.86 13.19 1.38 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.74 -171.26 5.89 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.445 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -139.9 154.84 47.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 110.726 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 65.84 -80.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.994 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -144.68 18.06 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.801 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.9 176.2 5.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.444 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.3 t -119.76 -26.38 5.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.19 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.41 103.61 7.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.537 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 99' ' ' PHE . 40.7 t -129.9 148.65 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 16.4 m-85 -124.82 152.7 43.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.525 ' HB ' HG23 ' A' ' 72' ' ' VAL . 60.6 mt -130.19 133.58 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -96.33 125.7 41.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.475 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -113.69 111.66 48.68 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.886 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 34.4 Cg_endo -60.85 127.77 23.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.435 2.09 . . . . 0.0 112.097 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -76.63 6.92 5.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.458 ' HG3' ' OD2' ' A' ' 94' ' ' ASP . 7.3 pt20 -110.13 115.59 30.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.549 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 41.35 -156.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.371 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.9 47.13 2.04 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.527 ' HB3' ' HD2' ' A' ' 95' ' ' PRO . 7.8 m-20 -61.47 164.43 9.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 94' ' ' ASP . 50.8 Cg_endo -65.69 142.51 70.71 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.318 2.679 . . . . 0.0 113.359 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -87.73 168.18 7.06 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.968 2.445 . . . . 0.0 111.892 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.1 128.06 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.752 0.31 . . . . 0.0 111.293 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 86' ' ' ILE . 2.1 mp0 -101.4 143.07 31.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 47.3 m-85 -131.76 162.66 29.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.536 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.39 156.89 29.27 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.897 0.38 . . . . 0.0 111.599 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.1 p -124.32 -173.8 2.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 103' ' ' ARG . 1.6 p-10 -113.37 -11.98 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HG3' ' OD2' ' A' ' 102' ' ' ASP . 43.0 mtm180 -141.31 171.82 13.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.984 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.23 -39.55 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.13 -52.35 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.73 -26.96 66.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.544 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' A' ' 111' ' ' PHE . 4.0 tp -68.5 -56.59 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -67.18 -27.61 67.42 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.584 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.05 -57.77 4.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.891 0.377 . . . . 0.0 111.677 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -69.21 -49.02 60.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' HE2' HD12 ' A' ' 107' ' ' LEU . 33.9 m-85 -66.66 -31.61 72.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 22.7 tm0? -70.35 -35.43 73.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 46.2 t -68.66 -49.07 62.01 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.407 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 63.9 mt -54.24 -34.86 28.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HG3' ' HB2' ' A' ' 119' ' ' TRP . 56.9 ttt180 -76.48 -33.0 58.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.337 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 25.8 mt-10 -57.52 -19.14 22.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.821 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 62.0 mt -109.05 -21.37 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.947 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.6 p -107.81 11.99 27.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 110.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.521 ' HB2' ' HG3' ' A' ' 115' ' ' ARG . 29.1 m95 -148.58 -41.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.948 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.497 ' HD2' ' HG2' ' A' ' 116' ' ' GLU . 66.8 mttm -100.81 149.92 23.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.8 mt -128.89 105.02 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.92 109.66 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.0 t -88.25 -13.9 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.914 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 58.94 -174.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.38 -40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 57.12 -171.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 62.59 112.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 62.16 107.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.274 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -96.16 106.01 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.373 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.447 HE21 ' HB1' ' A' ' 34' ' ' ALA . 47.1 mt-30 -123.47 143.2 50.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 -138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.346 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.24 144.94 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.236 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.47 166.27 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.55 137.58 52.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 83.8 mtp -130.73 131.69 44.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.78 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.61 ' CZ2' ' HG3' ' A' ' 26' ' ' GLN . 46.6 t-105 -58.46 109.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.526 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.13 100.9 8.47 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -73.85 1.84 9.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.912 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mm -89.4 -61.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.77 -6.58 45.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 21' ' ' TRP . 8.3 mp0 58.46 72.27 0.54 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.391 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -169.79 172.65 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.697 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -107.17 125.59 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 48' ' ' GLN . 78.3 p -117.07 169.06 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.932 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -91.03 121.8 33.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -120.25 157.43 29.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 74.4 t80 -114.79 98.95 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.68 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' LEU . 86.4 m -94.17 166.99 11.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.149 0.5 . . . . 0.0 111.854 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' HE21 ' A' ' 15' ' ' GLN . . . -166.91 117.56 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.487 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -88.65 132.51 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.001 0.429 . . . . 0.0 111.304 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.38 120.92 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 65.99 -80.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -151.29 14.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 88.4 mttt -121.99 142.14 50.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 111.557 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 33' ' ' CYS . 27.3 tp -107.67 117.03 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.739 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -111.7 121.38 44.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.541 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -108.21 138.77 43.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.386 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 32' ' ' TYR . 88.1 p -92.96 163.65 13.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.391 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.512 ' HB2' ' HD3' ' A' ' 61' ' ' ARG . 21.0 t70 -72.06 165.67 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -42.07 115.43 0.67 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.73 -31.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.294 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -130.99 -28.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' HG2' HG22 ' A' ' 29' ' ' THR . 5.8 tp-100 -85.88 32.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.2 p -52.44 124.37 13.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.0 mtt -88.17 -1.36 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.12 156.83 26.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -59.6 -69.5 0.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.61 13.16 14.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 2.8 t-20 55.85 65.67 4.22 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 15.9 Cg_exo -68.43 -57.96 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.71 2.273 . . . . 0.0 112.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -108.86 177.56 4.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.19 117.87 1.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.602 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -99.7 168.98 9.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.309 . . . . 0.0 110.804 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 59' ' ' LEU . 1.2 tm? -70.72 -58.51 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -76.84 93.03 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 24.3 tpt180 -77.1 -23.92 51.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.89 150.56 12.57 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.713 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.4 mt -137.86 124.58 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.722 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.4 mm? -94.2 106.28 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.853 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.56 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.7 p-10 -53.74 -25.47 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.744 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 94.8 mt 62.49 5.14 1.53 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.442 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.535 HD22 ' HB2' ' A' ' 65' ' ' ASP . 53.3 m-80 -89.65 -4.36 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.718 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' OD2' ' A' ' 65' ' ' ASP . 4.3 t -153.65 63.86 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.377 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -151.76 171.2 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 89.8 m-20 -138.93 129.97 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.333 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.28 127.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.063 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.513 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.78 124.12 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.005 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -77.52 104.51 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.332 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . . . -77.29 120.77 82.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 74' ' ' ALA . 2.1 Cg_endo -82.17 -64.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.059 2.506 . . . . 0.0 112.786 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.05 -17.79 11.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.31 -159.1 22.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -138.93 -61.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.213 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -140.29 103.2 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 57.04 16.45 2.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.501 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -118.73 157.82 26.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.4 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -109.22 -49.4 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -100.44 104.34 15.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.865 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 100' ' ' ALA . 20.7 t -136.41 149.8 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.937 0.399 . . . . 0.0 111.867 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -124.98 152.25 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 72' ' ' VAL . 58.5 mt -131.0 134.53 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.1 mt -96.56 126.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.396 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 42.9 mt-10 -114.77 110.09 46.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.844 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 94' ' ' ASP . 19.9 Cg_endo -58.2 143.59 96.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.453 2.102 . . . . 0.0 112.294 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -107.43 5.68 27.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -75.52 -84.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.32 -139.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.193 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.25 33.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.339 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.535 ' HB2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -63.17 155.96 71.0 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-O 120.543 0.211 . . . . 0.0 110.682 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.48 150.41 15.0 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.3 . . . . 0.0 112.985 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.52 168.36 9.93 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.879 2.386 . . . . 0.0 112.214 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -133.52 131.84 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.222 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -101.33 142.56 32.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.011 0.434 . . . . 0.0 111.352 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.41 ' O ' HG13 ' A' ' 84' ' ' VAL . 42.4 m-85 -130.52 159.04 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.344 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -156.75 161.5 39.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.047 0.451 . . . . 0.0 111.822 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.7 p -132.68 -174.96 3.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.45 -3.26 9.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -146.6 162.74 37.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.771 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.71 -25.55 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.027 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.3 -53.26 14.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.02 -32.5 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.407 . . . . 0.0 110.314 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 111' ' ' PHE . 3.1 tp -65.5 -56.35 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -65.66 -29.31 69.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.661 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.67 -58.01 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -68.73 -49.03 62.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 41.7 m-85 -68.59 -31.06 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -70.0 -35.29 74.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' GLU . 57.1 m -68.7 -48.07 64.81 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.248 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.9 -34.82 38.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 80.0 mtt180 -76.9 -27.9 55.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.624 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' ' O ' ' A' ' 113' ' ' SER . 20.3 mt-10 -57.83 -22.44 47.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.601 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 117' ' ' ILE . 3.0 mp -96.44 -40.91 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.659 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.6 p -94.25 -64.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.446 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 65.7 t-105 -55.69 -25.96 42.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER -117.34 115.06 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 70.6 mt -133.25 107.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -85.32 162.01 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 68.3 p -99.05 168.51 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.73 0.3 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -102.47 118.91 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -156.28 -44.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -119.0 117.97 30.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -154.07 136.17 14.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -138.63 152.49 48.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -96.14 111.18 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -136.16 139.4 42.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.93 -147.73 8.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.87 139.12 50.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.8 mt -135.65 171.56 14.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.977 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -120.44 127.48 52.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mtp -124.32 148.23 47.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.735 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -60.02 128.35 36.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.44 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.39 100.98 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.383 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 p -73.3 -7.29 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.287 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.73 -56.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 0.0 110.399 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -107.58 1.55 23.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 53.38 70.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.564 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -171.13 179.34 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.904 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -101.89 128.55 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.6 p -124.11 168.98 12.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.989 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -90.28 135.25 33.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.02 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -133.48 154.2 51.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 80.6 t80 -102.93 95.86 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.242 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.559 ' HB3' HD11 ' A' ' 40' ' ' LEU . 78.6 m -91.78 160.57 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.562 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -167.65 121.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.4 mt -88.65 124.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 111.361 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.58 121.4 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.962 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 65.1 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.191 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -147.17 10.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.358 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 65' ' ' ASP . 67.8 mttm -119.1 165.56 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 33' ' ' CYS . 29.9 tp -128.57 117.63 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HB3' HG12 ' A' ' 63' ' ' ILE . 38.9 p -106.52 122.01 45.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.316 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -105.13 131.31 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.493 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' A' ' 32' ' ' TYR . 48.3 t -88.72 159.27 17.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.405 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.98 165.58 23.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.587 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.484 ' CB ' ' H ' ' A' ' 49' ' ' THR . 4.1 m-20 -43.25 131.69 4.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.95 4.7 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.525 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -157.53 -36.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 50' ' ' MET . 84.9 mm-40 -67.4 -56.94 7.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.484 ' H ' ' CB ' ' A' ' 45' ' ' ASP . 42.7 p 50.65 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.024 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' GLN . 84.2 mmm 62.78 16.36 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.297 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -110.87 99.28 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 54' ' ' ASN . 2.2 mp0 -92.85 164.28 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.436 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 64.89 -7.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.481 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.539 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 39.1 m-80 -140.68 58.96 10.67 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.991 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 5.5 Cg_exo -79.86 109.63 2.44 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.901 2.401 . . . . 0.0 112.149 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.0 tp -171.54 154.06 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -147.71 140.23 8.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 m -126.41 18.13 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp 59.87 -86.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.8 p -57.0 99.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 6.0 tpm_? -94.44 -26.38 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.502 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.44 155.99 20.06 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.006 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 41' ' ' SER . 43.7 mt -137.76 140.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.565 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.1 mm? -102.23 111.09 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 5.3 m-20 -50.88 -27.73 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.716 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 95.4 mt 60.24 6.09 0.94 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -104.04 1.07 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.379 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -152.92 55.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -146.65 171.36 15.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.71 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.577 ' HB2' ' HB2' ' A' ' 88' ' ' GLU . 48.9 m-80 -137.03 131.09 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.351 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 87' ' ' LEU . 59.1 t -96.06 131.39 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 ' HB ' ' A' ' 86' ' ' ILE . 0.5 OUTLIER -132.33 128.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -80.37 104.71 11.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.64 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.42 120.5 80.61 Favored Pre-proline 0 C--O 1.237 0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.137 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.26 151.44 29.89 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.843 2.362 . . . . 0.0 112.757 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 55.97 15.41 1.73 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.22 -169.61 13.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.391 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -138.68 149.43 45.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.559 0.218 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 69.65 -77.81 0.05 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.016 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -145.36 16.39 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.4 178.24 4.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.493 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.7 m -123.13 -26.28 4.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.367 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -129.04 102.45 6.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.0 t -127.87 147.69 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 111.884 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' HB2' ' CE1' ' A' ' 111' ' ' PHE . 12.3 m-85 -131.51 123.71 28.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.44 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 98' ' ' GLU . 62.7 mt -101.52 141.5 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 71' ' ' VAL . 41.1 mt -101.21 129.39 47.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.304 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' ASN . 43.8 mt-10 -114.98 103.89 54.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.713 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 88' ' ' GLU . 19.9 Cg_endo -59.83 153.13 58.89 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.479 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.502 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.445 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.7 tt0 -59.72 -80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.98 85.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.729 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.5 21.14 2.93 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 116.068 -0.515 . . . . 0.0 113.444 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.463 ' OD1' ' HB2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -56.93 158.83 8.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.681 0.24 . . . . 0.0 110.706 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.09 149.79 41.9 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.57 2.18 . . . . 0.0 112.899 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.31 168.31 11.73 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.902 2.401 . . . . 0.0 112.307 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.48 130.65 57.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.29 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.557 ' HG3' HG12 ' A' ' 86' ' ' ILE . 1.8 mp0 -97.66 139.76 33.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.285 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.69 159.48 35.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.572 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.1 158.83 35.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 111.685 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.421 ' OG1' HD23 ' A' ' 107' ' ' LEU . 64.3 p -125.97 -167.95 1.78 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.852 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -126.78 -2.14 6.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 107' ' ' LEU . 95.6 mtt180 -140.44 165.73 26.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.19 -37.6 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.01 -53.6 36.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 110' ' ' TRP . 6.7 mm-40 -60.03 -31.33 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 110.04 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 103' ' ' ARG . 2.4 tm? -57.16 -56.71 18.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 112' ' ' GLN . 2.1 t80 -72.46 -42.86 64.49 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.279 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.74 -58.21 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.3 m95 -60.6 -49.18 78.58 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 25.9 m-85 -70.81 -30.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.583 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 1.4 tm0? -60.65 -37.48 81.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.3 p -69.24 -46.26 67.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.949 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.78 -34.56 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' A' ' 119' ' ' TRP . 12.9 mtt180 -76.49 -31.57 57.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.357 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.1 -18.77 61.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.648 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 66' ' ' LEU . 72.5 mt -107.74 -30.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.4 p -101.01 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 66.7 t-105 -60.47 -22.2 63.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -123.8 112.17 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.6 mt -130.3 105.03 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -153.39 123.95 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.7 t -137.76 -20.35 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.862 179.978 . . . . . . . . 0 0 . 1 stop_ save_