data_2m06_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 2m06 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -127.58 142.54 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.167 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.3 m -129.68 133.16 46.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.529 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -116.72 129.03 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 m -135.92 145.99 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.443 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.57 150.85 20.66 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.48 170.08 32.86 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.082 -1.056 . . . . 0.0 112.457 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -125.43 144.04 50.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.887 -0.656 . . . . 0.0 109.6 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.19 148.45 43.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.187 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -121.51 140.18 52.54 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -122.26 143.76 49.4 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.987 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.09 139.02 54.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.226 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.93 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 0.0 110.301 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.5 121.83 23.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.029 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.65 64.82 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.715 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -116.58 154.08 31.1 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.695 0.748 . . . . 0.0 109.543 170.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -102.11 97.88 8.13 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.667 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 p-10 -178.76 153.61 0.68 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.956 0.407 . . . . 0.0 111.04 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -131.94 146.49 52.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.1 mtp -134.84 156.35 49.05 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.101 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.58 138.31 10.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.69 168.14 29.86 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.089 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -126.45 155.59 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -135.48 146.71 48.43 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.282 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.2 tp -122.83 136.03 54.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.189 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -123.76 140.59 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.101 0.477 . . . . 0.0 111.678 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -122.12 139.02 54.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.544 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -127.9 140.14 52.18 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.42 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -129.85 138.65 51.09 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.448 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.33 148.1 51.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.071 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.28 141.68 28.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.393 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -67.13 -44.22 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.54 -13.32 17.24 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.234 0.278 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.84 134.5 50.54 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.001 1.134 . . . . 0.0 112.915 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.18 135.2 51.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.175 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.88 116.76 5.21 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -174.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.91 130.82 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.44 130.96 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.247 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.77 8.37 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -128.18 137.09 51.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.356 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.26 127.61 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -115.1 135.23 54.43 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.683 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.31 120.99 32.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.859 0.724 . . . . 0.0 109.056 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 p -126.78 150.28 49.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.474 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.746 -179.202 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.38 133.57 38.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.5 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.57 139.18 53.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.23 137.02 8.48 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.025 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.34 129.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -140.05 159.56 41.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.974 0.416 . . . . 0.0 111.96 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 151.09 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.714 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.62 139.45 7.0 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 120.239 -0.981 . . . . 0.0 113.018 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.43 163.16 34.89 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 119.775 1.788 . . . . 0.0 111.958 168.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.69 41.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 -177.816 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.709 0.29 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.57 151.76 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -146.89 159.08 43.98 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.881 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.95 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.44 151.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 111.328 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.3 153.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.96 38.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.853 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.1 t -129.45 139.45 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.21 147.23 18.07 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -128.0 143.67 51.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.598 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.756 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.4 143.04 30.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.178 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -136.03 156.94 47.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.048 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -155.12 173.27 33.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.19 141.98 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 m -131.4 147.07 52.53 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.864 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -151.75 161.91 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.52 -176.65 48.14 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.419 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.58 156.11 46.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.586 0.231 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.68 27.12 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.524 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.9 mt -123.06 151.22 42.18 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.88 131.68 54.84 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.332 -177.212 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.32 152.87 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.45 143.97 44.07 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.475 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -125.28 126.96 45.94 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -129.31 130.94 46.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.6 p -143.06 157.08 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 111.532 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.47 130.03 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.458 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.15 135.84 54.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.204 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -134.7 139.77 45.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.9 p -142.3 148.21 37.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.025 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -115.7 125.95 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.803 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 15.66 95.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -165.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 t 75.19 -10.36 1.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.32 134.17 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 118.589 0.631 . . . . 0.0 109.443 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -104.1 128.11 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.628 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.96 134.86 62.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 128.25 7.32 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -131.73 136.67 47.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -108.4 130.98 55.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.89 128.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.99 141.54 36.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.769 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.1 -177.98 33.68 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.944 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.27 144.97 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.23 169.24 26.38 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.468 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.01 143.23 42.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -115.57 138.77 50.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.408 . . . . 0.0 110.655 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.574 179.535 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.706 0.289 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -132.23 145.92 51.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.344 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.9 m -124.93 133.13 53.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.1 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.8 130.26 74.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 p -131.41 161.1 33.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 110.275 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.29 150.82 22.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 170.05 32.73 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.394 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.73 144.19 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.13 146.05 40.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.914 0.388 . . . . 0.0 111.435 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -121.1 140.06 52.48 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -122.53 137.99 54.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.185 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -112.78 138.97 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.03 108.8 12.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.276 0.56 . . . . 0.0 110.733 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -72.8 122.15 21.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.314 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.28 -14.33 61.11 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.602 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -116.27 156.48 26.54 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 117.718 0.759 . . . . 0.0 109.35 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -85.01 165.44 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.285 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 47.61 -174.95 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.06 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -129.45 162.22 28.61 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.607 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.0 mtm -121.37 164.01 17.76 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.446 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.88 142.66 14.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.04 168.08 31.25 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.989 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -128.7 154.99 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.72 138.86 48.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.446 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.07 136.0 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.602 0.564 . . . . 0.0 109.514 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -122.97 147.44 46.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.227 0.537 . . . . 0.0 111.877 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -127.49 137.72 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.437 172.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -136.22 140.17 43.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -125.05 136.3 53.55 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.95 148.18 49.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 111.143 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -98.42 145.5 26.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.3 -45.07 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.0 -13.14 16.43 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 m -147.18 73.6 11.98 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.89 134.66 22.05 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 120.966 1.111 . . . . 0.0 113.304 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 tp -126.13 135.18 51.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.708 -1.133 . . . . 0.0 107.978 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.87 117.24 5.32 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.79 130.68 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.66 130.95 72.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.86 129.93 7.23 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.4 m -127.66 137.11 52.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.01 0.433 . . . . 0.0 111.347 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.63 126.45 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -122.38 137.2 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.761 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -125.65 125.55 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.604 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -120.68 140.62 51.35 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.751 0.657 . . . . 0.0 109.866 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--N 1.331 -0.213 0 O-C-N 123.224 0.328 . . . . 0.0 110.536 -174.467 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -129.57 138.55 51.36 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.314 0.383 . . . . 0.0 111.06 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -127.72 138.2 52.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.01 136.56 8.51 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.775 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.7 tp -116.46 129.76 72.38 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.7 p -129.67 158.95 37.93 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.19 149.7 26.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.863 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.35 159.57 28.69 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 119.489 -1.339 . . . . 0.0 114.572 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.41 163.45 34.41 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.762 2.308 . . . . 0.0 113.641 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.27 155.04 50.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.519 -176.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.523 -0.091 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.5 mt -125.01 151.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.25 156.75 43.6 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.33 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.73 145.62 17.49 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.12 157.74 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 111.675 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.17 154.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.39 -176.88 37.32 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.374 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.38 138.76 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.31 139.48 11.08 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -128.11 147.0 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 110.456 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.466 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.711 0.291 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.26 142.05 34.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -135.99 159.65 41.03 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.094 0.473 . . . . 0.0 111.81 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.99 175.5 30.7 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.16 142.46 45.75 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.1 p -134.15 151.12 51.2 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.914 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -156.16 160.13 39.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 -176.81 48.21 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.436 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.78 159.05 43.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 110.715 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.32 162.42 28.42 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.14 145.94 47.7 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -115.39 133.69 55.8 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.388 0.43 . . . . 0.0 110.568 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.485 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.08 153.7 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.816 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 tt -127.83 140.09 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -131.04 137.97 49.41 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.487 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -123.41 135.76 54.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.226 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.1 t -143.05 142.63 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.173 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -109.18 120.62 43.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.738 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.52 138.16 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.694 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -127.58 146.5 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.791 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.6 m -135.46 148.05 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.037 -176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -117.84 120.86 39.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.388 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.38 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 15.6 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.905 1.282 . . . . 0.0 114.417 -165.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 m 75.33 -10.87 1.17 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 170.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -102.48 131.87 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 118.627 0.648 . . . . 0.0 109.534 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.12 124.68 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.774 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.8 t -119.45 133.08 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 126.47 6.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.5 m -128.65 138.5 52.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 111.063 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.52 137.9 44.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.91 125.45 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.38 132.9 30.33 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.13 -177.95 36.51 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.96 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 158.34 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 156.78 25.68 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.808 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -127.72 143.18 51.16 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -101.88 137.61 39.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.603 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.377 179.423 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.731 0.3 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -126.33 144.1 50.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.117 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.9 m -126.35 133.14 51.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.417 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.35 129.19 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 p -136.33 163.12 31.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.161 0.505 . . . . 0.0 110.964 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.35 150.83 22.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.29 170.02 33.86 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.759 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -128.69 144.2 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.405 -0.397 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.23 147.64 42.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.99 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -117.07 140.16 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 m -120.03 137.59 54.01 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.098 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -103.04 124.84 49.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.53 107.77 18.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 110.249 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.91 121.96 28.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.461 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.35 61.74 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.652 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -116.29 169.25 9.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.827 0.814 . . . . 0.0 110.107 173.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.7 ttm -102.06 146.74 27.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 69.61 145.36 0.05 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.923 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.11 162.12 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.234 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -122.41 161.43 23.5 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.06 141.23 12.14 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.92 168.0 29.39 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.596 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -128.57 150.92 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -132.21 144.21 50.48 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.167 0.292 . . . . 0.0 110.975 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.57 137.06 54.43 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -129.13 144.23 51.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.207 0.527 . . . . 0.0 111.734 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -121.99 139.07 54.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.99 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -129.99 140.26 50.92 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.514 0.509 . . . . 0.0 111.557 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -129.47 138.57 51.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.462 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -133.08 148.09 52.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -97.32 146.49 25.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.531 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -103.42 -13.25 16.71 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -147.08 74.4 11.94 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.5 134.55 26.66 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.808 1.005 . . . . 0.0 113.032 -170.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.16 135.24 51.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.038 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.87 116.81 5.22 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -175.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.64 130.91 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.7 mt -123.93 130.81 73.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.74 129.82 7.63 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 t -128.12 137.05 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.945 0.402 . . . . 0.0 111.567 -173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -113.23 123.58 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -122.49 140.67 52.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.718 0.294 . . . . 0.0 111.265 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -129.24 130.38 46.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.504 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 m -130.78 142.04 50.38 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.224 0.327 . . . . 0.0 110.782 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.885 -178.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -155.98 160.9 40.46 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.754 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.98 154.52 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.562 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.29 137.33 8.89 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.943 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 tt -116.13 126.65 73.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -131.28 161.97 31.11 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.148 0.499 . . . . 0.0 111.472 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.05 147.41 29.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.391 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.68 136.37 5.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.711 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.31 163.06 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 CA-C-N 120.039 1.919 . . . . 0.0 111.519 168.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.89 147.81 32.17 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.926 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 -178.697 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.972 0.415 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.94 151.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -146.05 159.03 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.201 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.36 150.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.92 0.39 . . . . 0.0 111.415 -173.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.54 153.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.58 -177.5 38.52 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.05 137.36 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.15 134.8 10.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 133.25 55.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.746 -175.289 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -95.79 142.27 28.27 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -126.92 151.02 49.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 111.926 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.34 170.43 25.49 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -113.11 141.19 47.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.587 0.194 . . . . 0.0 110.602 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.2 m -132.34 145.77 51.5 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.791 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -153.27 161.03 42.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.691 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.74 -176.18 47.86 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.413 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.49 156.79 45.19 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.71 163.78 29.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.417 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.93 149.06 50.95 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -112.5 138.15 49.68 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.53 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.475 -178.656 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.109 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.48 150.58 48.77 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.704 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.8 mt -118.34 144.28 45.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.725 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -127.87 129.79 47.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.571 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -126.55 130.45 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.594 0.559 . . . . 0.0 109.559 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -143.02 157.09 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 111.187 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -112.94 126.27 55.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.446 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.92 137.71 54.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.096 0.474 . . . . 0.0 111.362 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -128.47 142.65 51.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.169 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.0 t -138.08 144.34 40.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.253 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -117.31 118.09 31.31 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.45 94.91 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 16.68 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -165.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t 73.57 -8.33 1.39 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.27 132.66 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 118.608 0.64 . . . . 0.0 109.536 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -103.96 122.17 44.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.492 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.95 126.15 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 120.28 4.4 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 t -134.05 143.95 48.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.369 0.585 . . . . 0.0 111.864 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -113.01 132.82 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.243 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -126.0 138.77 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.948 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -135.32 141.9 45.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.569 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.89 175.85 29.69 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.121 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.59 149.84 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.51 26.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -132.23 143.11 49.7 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -94.97 140.71 29.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.343 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.2 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.595 178.411 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.711 0.291 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -134.2 153.04 52.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -131.2 133.41 45.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.52 135.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -141.04 160.87 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 111.365 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.21 150.86 21.52 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 109.173 -1.571 . . . . 0.0 109.173 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 170.06 32.29 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.146 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -122.52 144.3 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.808 -0.696 . . . . 0.0 109.698 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.32 150.91 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -114.24 140.05 48.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -112.04 125.53 54.18 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.612 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -101.56 125.59 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.92 107.91 17.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.569 . . . . 0.0 110.409 -175.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -86.89 121.82 29.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.664 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.48 65.15 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.656 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -116.3 153.05 32.63 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.666 0.733 . . . . 0.0 109.433 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 94.8 mmm -89.83 158.6 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 65.62 125.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -84.12 162.14 20.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.604 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.0 mtt -125.01 159.35 31.51 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.059 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.41 139.03 11.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.15 168.14 31.32 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.999 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -132.53 157.17 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -144.1 150.16 37.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.133 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.98 135.79 52.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -119.78 138.29 53.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 0.0 111.194 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.97 138.0 54.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.873 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -127.05 140.09 52.54 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.254 0.346 . . . . 0.0 111.213 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.14 136.27 55.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.36 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.86 146.29 50.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.77 0.319 . . . . 0.0 111.231 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.88 140.02 31.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.214 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.5 -45.27 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -104.08 -13.29 16.32 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -147.25 72.94 12.01 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.02 134.49 19.68 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 120.824 1.016 . . . . 0.0 113.388 -169.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.2 mt -126.32 135.15 51.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.86 116.76 5.2 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -126.06 130.63 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 pt -126.19 141.49 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.96 129.89 8.33 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -128.28 137.03 51.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 110.889 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -122.03 130.2 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 172.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.2 m -123.18 137.35 54.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -125.17 126.95 46.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.485 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -127.27 150.16 49.68 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.267 0.355 . . . . 0.0 110.212 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.904 -178.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.383 0.135 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -147.82 133.16 18.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -132.34 135.36 46.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.97 137.28 9.01 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.846 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -116.02 129.9 71.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -132.09 160.31 36.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.177 0.513 . . . . 0.0 111.468 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.15 147.83 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.944 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.03 139.09 6.84 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.156 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.43 163.19 34.84 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 CA-C-N 119.892 1.846 . . . . 0.0 111.852 167.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.82 152.51 51.15 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.2 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.528 0.204 . . . . 0.0 110.673 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.231 0.103 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.96 151.65 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.711 -0.396 . . . . 0.0 109.943 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -147.65 159.08 44.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.044 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.65 17.62 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.22 152.15 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 111.343 -172.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.67 153.74 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.85 -177.92 38.97 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 119.871 -1.157 . . . . 0.0 112.187 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.03 142.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.99 155.0 21.41 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.567 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -117.51 135.13 54.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.756 -177.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -95.93 136.83 35.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.238 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.83 142.38 37.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.737 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -133.0 154.76 21.31 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -113.03 136.88 52.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -133.95 148.15 51.14 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.541 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -149.71 152.44 35.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.063 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -175.56 -176.01 43.46 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.721 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.45 158.43 43.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.75 158.43 27.67 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.771 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 73.8 mt -130.54 146.25 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -121.23 140.32 52.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.542 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.399 177.649 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.26 37.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.366 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.52 141.53 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.05 135.1 46.24 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.359 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.63 145.02 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -143.08 155.14 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 111.152 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -111.73 119.47 38.76 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -122.55 138.01 54.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.06 0.457 . . . . 0.0 111.405 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -127.57 140.82 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.5 m -135.99 147.89 48.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -117.65 123.38 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.666 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.7 mt -127.41 94.86 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 14.87 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -164.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.9 m 75.17 -10.86 1.16 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.74 134.97 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 CA-C-N 118.499 0.59 . . . . 0.0 109.577 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.36 124.08 47.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.651 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.15 132.83 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 128.66 7.49 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.49 134.26 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.021 0.438 . . . . 0.0 111.218 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -110.61 128.22 55.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.301 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -119.79 130.55 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.699 0.285 . . . . 0.0 110.588 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.82 33.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.861 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.93 -179.69 33.95 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.174 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.63 146.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.91 167.02 25.78 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.833 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -130.35 143.09 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -105.1 140.75 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.598 179.138 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -122.91 147.42 46.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.055 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 m -127.92 133.2 49.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.466 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.47 130.25 72.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -141.0 157.01 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.465 . . . . 0.0 111.212 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 150.9 22.54 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.82 170.03 31.87 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.216 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -121.08 142.24 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.505 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 148.09 42.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.894 0.378 . . . . 0.0 111.543 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.52 140.18 49.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.187 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -119.18 137.83 53.35 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.902 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -117.08 139.01 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.17 114.73 16.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.909 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -76.41 121.94 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.515 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.13 -14.37 64.61 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.768 -175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -116.37 148.86 40.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.739 0.769 . . . . 0.0 109.483 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mtp -97.92 167.03 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 111.067 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.7 t30 70.53 120.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.917 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.07 153.61 42.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.899 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.1 156.3 35.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.516 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.47 141.99 13.11 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.07 168.06 31.26 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.252 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -120.85 148.89 43.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.125 -0.537 . . . . 0.0 109.675 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -128.95 138.64 52.1 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.013 0.196 . . . . 0.0 110.59 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.9 tp -127.2 135.92 51.33 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.38 143.32 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -173.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.05 137.12 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.518 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -132.63 140.1 48.04 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.832 0.349 . . . . 0.0 111.32 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -128.7 137.93 51.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.78 148.08 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 111.145 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -96.29 141.44 29.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.406 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.01 -45.11 86.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -103.56 -13.22 16.64 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -147.1 73.5 12.08 Favored Pre-proline 0 C--O 1.234 0.286 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.67 134.56 24.3 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 120.914 1.076 . . . . 0.0 113.226 -169.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -126.17 135.07 51.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 171.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.99 116.83 5.23 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -174.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.97 130.68 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.8 mt -128.78 130.94 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.653 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.08 129.59 8.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -128.22 137.25 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.537 0.198 . . . . 0.0 110.807 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.41 131.23 54.7 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.6 m -114.18 134.73 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -118.13 120.95 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.828 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.444 0.465 . . . . 0.0 110.706 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.071 -177.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.509 0.195 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -137.59 133.07 33.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.23 137.35 52.87 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.12 137.2 8.22 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.657 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.9 pt -115.98 136.98 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.822 0.311 . . . . 0.0 110.2 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.5 p -133.8 161.06 35.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 111.281 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.84 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.326 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.53 142.27 9.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.774 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.39 163.09 35.12 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 CA-C-N 119.749 1.774 . . . . 0.0 111.503 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.62 144.68 37.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.498 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -177.407 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.23 0.069 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.99 151.96 31.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.12 159.05 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.28 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.39 145.62 17.63 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.3 151.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.725 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.7 t -126.58 153.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.41 175.32 39.68 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.247 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.07 139.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.19 155.08 21.49 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.49 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -128.08 146.94 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -95.97 121.08 37.34 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.24 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -116.59 147.23 42.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 158.75 26.98 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.15 143.95 43.5 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -134.11 145.42 49.31 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.575 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -140.68 147.9 39.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.89 178.88 43.91 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.892 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.39 159.08 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.15 175.49 36.08 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.569 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 152.96 46.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.93 123.36 40.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.024 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.463 0.214 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.008 -176.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.461 0.088 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.18 155.39 43.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.446 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.62 140.14 49.06 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -122.29 127.02 49.35 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -125.87 135.89 52.45 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.511 0.507 . . . . 0.0 109.769 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.1 m -142.92 151.38 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -114.71 126.31 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -125.3 138.06 54.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.186 0.517 . . . . 0.0 111.466 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -130.36 135.74 48.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.8 t -140.53 148.03 40.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 0.0 111.206 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -114.48 124.57 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.677 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.5 tt -127.47 94.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 17.14 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -164.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.0 p 76.92 -13.46 0.94 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.19 131.18 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.499 0.591 . . . . 0.0 109.685 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.01 121.55 43.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.367 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.13 137.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.06 9.93 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 29.1 m -121.5 133.54 55.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.066 0.46 . . . . 0.0 111.262 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -108.54 121.93 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.99 137.08 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.204 0.525 . . . . 0.0 111.061 -174.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.06 139.8 35.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.612 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.19 175.92 29.05 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.103 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.97 144.95 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.83 162.43 26.67 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.702 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -136.35 143.26 43.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.449 -0.375 . . . . 0.0 110.113 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -105.43 139.32 40.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.418 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.635 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.683 0.278 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -127.95 142.35 51.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.424 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.0 m -127.3 133.14 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.298 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.5 t -119.91 131.28 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -135.4 146.28 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.269 0.355 . . . . 0.0 110.965 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.81 22.61 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.11 170.21 36.16 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.071 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -124.55 144.12 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.15 44.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.297 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.6 140.12 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.533 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -122.73 146.29 47.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.269 . . . . 0.0 110.846 -175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -126.69 138.93 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.422 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.18 107.88 19.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.397 0.618 . . . . 0.0 110.018 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.13 121.89 20.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.807 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.98 -14.64 64.34 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.637 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -116.61 155.36 28.88 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.76 0.78 . . . . 0.0 110.11 169.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.04 97.77 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.301 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -176.06 164.83 2.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -135.07 150.85 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.439 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.1 mtp -132.64 152.59 51.62 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.451 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.33 134.33 7.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.45 168.05 28.52 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.825 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -129.06 150.69 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -131.73 137.81 48.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.07 135.99 54.64 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -138.96 153.11 48.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.48 0.657 . . . . 0.0 112.679 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -125.29 139.18 53.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.331 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -129.5 140.1 51.36 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.478 0.486 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.11 142.13 50.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -127.8 148.11 50.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -84.76 142.3 29.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.31 -45.14 77.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.0 -13.34 16.35 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -147.25 72.91 12.02 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.75 134.36 29.97 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.937 1.092 . . . . 0.0 113.118 -169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -126.21 135.1 51.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 168.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.9 116.66 5.18 Favored Glycine 0 C--N 1.333 0.407 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.55 130.67 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.7 pt -128.25 142.23 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.738 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.33 129.92 7.76 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m -128.05 137.32 52.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.797 0.298 . . . . 0.0 111.158 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -111.57 124.28 51.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -112.26 131.25 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.64 128.43 45.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -140.0 156.87 46.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.985 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 CA--C 1.522 -0.111 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -140.05 133.51 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -135.99 157.01 47.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.26 137.21 7.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.06 126.02 73.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.6 p -132.51 162.64 30.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.41 148.42 33.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.595 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.38 135.0 4.89 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.403 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.44 163.27 34.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.983 1.891 . . . . 0.0 111.673 165.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.26 151.5 50.63 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.826 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.543 -179.355 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.462 0.128 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -125.06 151.59 30.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -131.85 146.06 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.955 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.84 145.46 17.42 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.63 152.05 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.985 0.421 . . . . 0.0 111.748 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.77 153.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.338 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.75 -171.99 38.03 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.952 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -128.69 148.16 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.36 141.9 13.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.96 132.09 49.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -178.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.736 0.303 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -95.93 131.01 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.293 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -126.98 136.96 52.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.54 160.76 26.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -111.76 135.08 52.85 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.8 m -130.01 145.64 51.66 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.491 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -153.57 160.11 42.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.16 -176.85 48.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.761 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.35 159.13 44.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.9 166.89 30.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.43 148.89 47.31 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -112.19 134.11 53.93 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 123.185 0.303 . . . . 0.0 110.44 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--N 1.332 -0.157 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.9 148.91 38.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.293 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.5 141.63 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -127.25 127.01 43.71 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.264 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.78 130.29 53.3 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 t -143.06 147.73 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -111.73 123.38 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.597 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -113.82 138.07 50.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 111.073 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -122.53 134.75 54.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.499 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -130.51 132.07 45.42 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -119.28 126.38 51.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.42 118.36 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 169.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -47.07 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.945 0.778 . . . . 0.0 112.77 -159.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 24.3 p 149.93 -54.24 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 125.396 1.685 . . . . 0.0 109.387 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.4 t -109.29 136.0 46.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -170.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.18 117.96 35.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.16 134.14 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.64 0.257 . . . . 0.0 110.395 -175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 134.02 9.95 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 31.8 m -132.16 136.03 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.272 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -110.07 127.12 54.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.0 tt -129.43 139.57 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 111.108 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.1 142.81 36.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.671 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -154.75 -177.92 28.56 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.956 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -133.12 150.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.61 159.34 26.81 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.656 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -137.33 143.14 41.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -112.65 139.14 48.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.729 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.489 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.461 0.092 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -129.01 151.02 50.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 m -129.78 133.13 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.16 130.14 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.8 t -141.03 160.23 40.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.33 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 150.89 22.51 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.42 170.05 31.62 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.119 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -125.45 144.31 50.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.767 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.25 149.94 44.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.874 0.368 . . . . 0.0 111.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -111.32 140.05 46.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.263 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 t -117.48 137.11 52.75 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.103 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -130.09 138.82 50.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.02 121.38 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.382 0.611 . . . . 0.0 111.01 -171.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -77.17 123.35 26.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.911 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.1 -14.17 60.0 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 123.894 0.746 . . . . 0.0 112.577 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -116.13 151.75 35.02 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.741 0.771 . . . . 0.0 109.793 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -97.42 151.23 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.81 142.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.733 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -83.98 162.08 20.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.119 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.21 164.03 22.58 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.14 139.84 11.36 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.36 167.98 27.89 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.907 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -132.43 158.06 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -140.28 140.32 35.69 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.469 -177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -124.98 139.45 53.81 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -129.77 147.16 51.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.212 0.529 . . . . 0.0 111.845 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.96 139.08 54.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.7 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -130.59 139.6 50.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 111.242 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -131.99 141.48 49.29 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.29 148.2 44.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -92.81 140.2 29.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.69 -45.0 84.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -101.25 -13.25 18.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -147.17 72.94 12.09 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 134.48 19.7 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.858 1.039 . . . . 0.0 113.427 -169.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 135.18 51.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.492 -1.231 . . . . 0.0 107.765 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.72 116.7 5.17 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.17 130.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.0 131.06 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.408 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.75 129.89 8.65 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 p -128.14 137.13 51.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.991 0.396 . . . . 0.0 111.106 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -113.56 121.84 45.44 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -111.93 136.57 51.08 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.346 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.69 124.01 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -124.81 139.12 54.13 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.599 0.562 . . . . 0.0 110.123 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.239 -175.058 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -124.44 133.7 53.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.968 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -131.69 134.82 46.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.96 137.05 9.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.956 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 tt -116.34 127.24 74.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -140.02 159.23 42.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 111.271 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.9 39.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.413 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.32 140.67 8.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.725 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.36 163.23 34.94 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 CA-C-N 119.75 1.775 . . . . 0.0 111.5 168.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.27 150.6 52.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.731 0.301 . . . . 0.0 110.476 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--N 1.331 -0.202 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.524 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.46 0.074 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -124.98 151.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -148.05 156.31 42.49 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.178 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.6 145.58 17.02 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.04 153.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 111.559 -170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.25 153.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.44 -172.04 37.16 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.834 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.5 146.58 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.44 14.32 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -119.92 140.39 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 177.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.688 0.28 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -96.06 144.82 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.064 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -136.03 154.17 51.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.116 0.484 . . . . 0.0 111.466 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -152.05 175.99 30.54 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -113.28 147.41 37.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.195 0.045 . . . . 0.0 111.026 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 96.4 p -134.06 148.77 51.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.011 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -149.84 153.79 37.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.333 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.78 -179.48 47.92 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.938 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.87 44.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.41 164.57 28.37 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.821 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -117.46 134.89 54.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.132 0.27 . . . . 0.0 110.547 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.331 -0.216 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.649 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.93 151.58 33.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 tt -115.47 135.28 54.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.022 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.58 129.42 53.76 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -131.07 130.05 42.73 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -143.09 155.34 44.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 111.804 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -109.44 131.19 55.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.485 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -127.08 138.06 53.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.45 141.36 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.3 t -143.91 148.07 34.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.411 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -111.35 122.86 48.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.43 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 44.0 mm -127.26 94.88 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 16.69 95.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -164.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 75.4 -12.18 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -104.2 133.0 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 118.553 0.615 . . . . 0.0 109.709 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -104.01 119.67 39.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.187 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.8 p -121.21 136.96 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 110.951 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.19 134.0 9.89 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -130.3 144.04 51.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.13 0.465 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -111.75 126.86 55.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -116.56 126.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.41 137.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.823 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.07 -177.94 34.61 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.908 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.75 150.94 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.68 169.0 26.68 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.051 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -134.58 143.18 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -108.84 143.27 38.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.0 110.91 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.482 179.476 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -120.91 146.29 46.78 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 m -129.74 133.23 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.394 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -122.85 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -139.72 166.3 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.256 0.551 . . . . 0.0 110.841 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 150.8 22.65 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.94 167.96 32.29 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -123.21 143.76 49.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.31 145.85 39.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -121.47 140.08 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.1 p -124.04 146.05 48.81 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.002 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -122.34 130.41 53.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.931 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.192 0.52 . . . . 0.0 110.25 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.14 121.88 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.472 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.58 -14.41 61.99 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.641 -173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -116.37 147.67 41.39 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 117.655 0.728 . . . . 0.0 109.322 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.88 160.07 17.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 66.61 142.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.925 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -92.21 162.12 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.337 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mtp -122.41 159.5 27.41 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.32 141.84 13.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.94 168.19 32.87 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.568 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.86 156.38 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -134.47 141.34 46.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.029 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.97 135.92 54.66 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -124.56 139.46 53.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.138 0.494 . . . . 0.0 111.411 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -122.03 139.12 54.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.608 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -128.15 140.04 52.15 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.927 0.394 . . . . 0.0 111.57 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.14 139.77 53.1 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.246 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -139.62 148.09 41.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.35 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -88.91 146.67 24.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.384 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.42 -45.01 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -101.25 -13.24 18.16 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 72.89 12.12 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.05 134.56 19.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 120.925 1.083 . . . . 0.0 113.422 -171.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -126.19 135.29 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 170.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.73 116.72 5.18 Favored Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.99 130.72 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -123.99 131.01 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.541 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.3 129.91 8.72 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -128.08 137.04 51.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.49 127.54 54.51 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.7 m -113.63 130.33 56.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.655 0.264 . . . . 0.0 110.368 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -123.12 120.85 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -130.35 146.6 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.425 . . . . 0.0 111.258 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.37 179.475 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 N--CA 1.463 0.185 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -130.9 137.04 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.652 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -122.98 136.89 55.03 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.39 134.49 7.63 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.612 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.25 125.86 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 p -131.65 160.12 36.34 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.069 0.461 . . . . 0.0 111.42 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.11 147.41 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.24 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.71 142.09 9.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.834 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.3 163.07 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 119.835 1.818 . . . . 0.0 111.566 168.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -141.55 143.18 33.62 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.626 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 66.5 t80 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.449 -177.094 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--O 1.231 0.099 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 tt -133.53 151.77 33.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.09 158.85 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.695 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.84 145.61 17.24 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.806 -1.317 . . . . 0.0 109.806 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.32 152.61 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.351 -173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.34 153.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.13 -177.88 39.1 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.992 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -125.98 138.81 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 138.16 12.12 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -122.34 137.84 54.72 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.381 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.791 0.329 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -98.89 145.1 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.83 154.35 51.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.049 0.452 . . . . 0.0 111.598 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.67 168.68 30.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.16 142.64 45.53 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.5 p -134.08 148.87 51.08 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.73 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -155.84 162.26 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.761 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.46 -178.81 47.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.68 158.39 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -156.2 174.41 34.06 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.836 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.29 147.04 50.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.328 . . . . 0.0 110.238 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -125.0 127.34 46.85 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.365 0.415 . . . . 0.0 110.088 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.198 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.859 0.362 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.02 155.61 26.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.354 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.77 146.02 47.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -133.25 138.84 46.64 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.581 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.31 142.87 39.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.831 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 m -143.12 157.0 44.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.72 122.95 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.71 137.99 52.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.205 0.526 . . . . 0.0 111.652 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -131.96 139.42 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.201 174.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -136.36 145.04 44.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.829 0.347 . . . . 0.0 110.784 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -116.97 121.01 40.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -127.42 94.76 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 14.74 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -164.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.6 m 73.14 -7.6 1.47 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.79 134.53 43.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.596 0.635 . . . . 0.0 109.35 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -104.08 120.98 42.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.36 133.13 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.14 129.12 7.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.67 134.27 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.081 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -107.69 131.14 54.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.34 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.94 139.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.06 137.19 29.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.612 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.54 179.24 32.53 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.877 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.93 156.43 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.24 157.97 26.7 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.668 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -131.94 143.05 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -109.16 141.22 41.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.574 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.548 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.669 0.271 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -129.42 144.22 51.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.2 p -128.32 133.27 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.347 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.36 127.92 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -134.27 148.89 50.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.87 22.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.38 170.02 34.45 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.0 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -126.49 144.29 50.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.969 -0.615 . . . . 0.0 109.998 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.01 144.79 39.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.045 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -116.8 140.09 49.83 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -120.19 139.73 52.2 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.065 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -110.9 139.08 46.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.185 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.07 107.89 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.377 0.608 . . . . 0.0 110.079 -176.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -84.16 121.9 28.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.973 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 -14.63 59.22 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.624 -174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -116.55 149.11 40.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 117.697 0.748 . . . . 0.0 109.59 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.14 97.79 9.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.251 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.64 158.01 1.0 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.083 0.468 . . . . 0.0 111.017 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -130.61 146.85 52.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.303 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -131.27 158.15 41.38 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.79 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.34 138.78 9.27 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.97 165.28 29.74 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.894 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.19 154.23 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -144.09 150.1 37.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.805 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.3 mt -123.81 136.55 54.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.437 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -120.37 139.35 52.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 111.225 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -121.9 139.09 54.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.769 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -132.46 140.12 48.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.426 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -119.64 141.92 48.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.371 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -132.54 145.27 51.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.346 . . . . 0.0 111.155 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -100.71 140.28 35.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.8 -45.17 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.17 -13.37 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -147.23 72.92 12.04 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.95 134.5 19.81 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 120.841 1.027 . . . . 0.0 113.349 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -126.13 135.16 51.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.89 116.84 5.23 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 119.863 -1.16 . . . . 0.0 110.281 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.96 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.5 mt -123.97 131.04 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.61 129.9 7.69 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -128.02 137.0 52.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.883 0.373 . . . . 0.0 111.364 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -112.56 123.28 49.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 m -118.38 136.31 53.82 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.089 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -120.07 122.9 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.105 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -126.93 143.7 51.21 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.101 0.25 . . . . 0.0 110.7 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.914 -178.15 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 . . . . . 0 CA--C 1.522 -0.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.11 157.24 42.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.347 0.594 . . . . 0.0 112.212 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.21 140.64 52.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.597 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 136.08 9.1 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.605 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.29 126.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p -129.84 157.6 41.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.06 0.457 . . . . 0.0 111.159 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.21 144.97 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.33 149.51 19.82 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.713 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 163.28 34.46 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.123 1.882 . . . . 0.0 112.382 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.51 154.98 47.8 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.777 0.322 . . . . 0.0 110.412 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.332 -0.185 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 pt -130.64 151.93 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -147.9 158.95 44.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.379 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.61 145.39 16.77 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.39 156.61 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.523 -171.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.0 t -137.26 153.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.2 -176.39 37.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.943 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.96 148.81 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.04 140.05 11.43 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -117.12 130.81 56.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 -177.017 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.725 0.297 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.85 130.26 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.213 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -112.91 139.34 48.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.156 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.39 156.61 24.12 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -113.1 141.35 47.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.475 0.138 . . . . 0.0 110.634 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.2 m -134.07 149.83 51.16 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.229 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -154.0 159.39 41.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.79 47.68 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.571 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.9 159.61 41.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.69 158.25 27.61 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.734 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 mt -121.55 142.19 50.33 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -113.29 132.51 55.53 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.12 0.262 . . . . 0.0 110.377 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.221 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.74 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.7 mt -113.9 141.39 47.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.97 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -123.33 126.97 47.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -121.64 129.38 52.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -142.93 144.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.466 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -112.44 120.28 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.468 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -124.91 138.11 54.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 111.405 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -126.41 148.66 49.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.548 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.2 p -140.75 148.2 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -116.04 125.34 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.902 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.44 94.93 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 16.38 95.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -165.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 m 75.43 -11.65 1.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.342 170.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -104.05 133.19 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 118.667 0.667 . . . . 0.0 109.358 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -104.05 127.79 51.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.626 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.24 131.01 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.13 128.7 7.48 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.9 t -134.1 144.07 48.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 111.405 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -107.98 134.03 51.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.517 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 69.2 mt -118.16 128.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.48 136.8 38.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.806 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.52 -179.4 31.49 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.007 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.94 149.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.01 26.45 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.057 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -123.33 143.06 50.34 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -111.91 135.88 51.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.301 . . . . 0.0 110.634 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.533 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.779 0.323 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -123.97 140.49 52.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.405 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.0 p -129.47 133.33 47.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.317 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.05 130.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 p -138.78 168.21 20.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.186 0.517 . . . . 0.0 110.977 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 150.7 22.48 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 169.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.56 169.47 33.92 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.844 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -124.51 144.35 50.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.975 -0.613 . . . . 0.0 110.319 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.1 147.37 41.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -125.71 140.11 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.463 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 m -122.38 140.01 53.18 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.854 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -122.47 139.05 54.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.24 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.11 108.0 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.325 0.583 . . . . 0.0 110.291 -175.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -80.5 121.88 26.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.04 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.35 -14.51 54.33 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.746 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -116.42 145.17 43.46 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.621 0.71 . . . . 0.0 109.612 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.4 mtp -87.14 98.02 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.997 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -171.4 137.09 1.06 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.223 0.535 . . . . 0.0 111.817 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -134.96 134.16 40.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.1 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.4 mtm -132.62 150.74 52.11 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.715 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.42 135.4 8.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.94 168.23 30.01 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.387 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.34 155.66 38.35 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -144.05 150.12 37.71 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.754 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.9 mt -123.84 145.98 48.7 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.25 135.88 51.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.46 . . . . 0.0 111.214 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -121.96 139.18 53.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.544 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -118.99 140.2 50.4 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.361 0.413 . . . . 0.0 111.405 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -126.51 137.19 53.34 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.165 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -131.03 148.15 52.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 111.68 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -96.55 145.32 25.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.424 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -45.12 66.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.19 -13.3 16.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -147.15 79.28 9.95 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 134.44 31.91 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 120.708 0.939 . . . . 0.0 113.013 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.26 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.009 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.73 116.76 5.19 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.88 131.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 109.922 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.92 137.14 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.049 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.49 129.9 7.91 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 t -128.13 136.98 51.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -116.48 126.1 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 m -121.14 135.63 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.52 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -126.72 125.75 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.5 p -125.32 148.88 48.54 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.424 . . . . 0.0 110.206 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.93 -178.598 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 . . . . . 0 N--CA 1.463 0.216 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.36 139.34 51.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -133.9 138.67 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.61 137.15 8.95 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.616 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.7 tt -116.24 131.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.6 p -131.51 159.22 38.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.053 0.454 . . . . 0.0 111.347 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.88 145.76 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.71 138.5 6.55 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.174 -1.013 . . . . 0.0 112.887 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.3 163.09 35.33 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 CA-C-N 119.973 1.886 . . . . 0.0 111.492 168.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.39 153.48 42.73 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.008 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--N 1.332 -0.194 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.46 0.061 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.0 mt -124.91 151.77 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -146.07 157.08 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.181 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.9 145.68 17.64 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.4 150.54 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.154 0.477 . . . . 0.0 111.649 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.5 153.9 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.89 -177.8 39.96 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.343 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.49 139.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.04 140.47 11.92 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -128.07 147.02 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.642 0.258 . . . . 0.0 110.473 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.516 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -108.52 139.05 43.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -136.09 155.42 50.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.35 . . . . 0.0 111.329 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.54 166.37 31.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.12 142.93 45.19 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 m -128.38 143.69 51.04 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.216 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -140.89 149.13 41.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.625 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.28 179.3 45.71 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.211 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.46 153.17 39.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.7 168.13 28.06 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.16 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 140.43 52.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.22 131.81 54.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.587 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 C--N 1.332 -0.165 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.797 -179.785 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.37 37.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.991 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.62 140.53 49.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -122.55 127.56 49.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.386 0.429 . . . . 0.0 110.172 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.04 131.64 50.89 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.535 0.522 . . . . 0.0 109.648 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.0 t -143.16 153.34 42.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.042 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -109.93 122.07 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -116.97 136.51 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -127.91 139.1 52.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.9 m -131.85 146.3 52.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -114.27 122.8 47.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.639 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.9 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 13.32 95.25 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -164.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m 74.78 -9.66 1.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.8 t -104.03 135.63 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 118.514 0.597 . . . . 0.0 109.552 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -102.4 122.27 43.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.53 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.7 t -114.21 131.37 66.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 123.05 5.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.2 t -134.09 143.45 48.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -115.67 135.93 53.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.638 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.7 pt -116.33 137.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.41 134.42 29.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.456 173.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.72 173.84 32.36 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.249 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.0 t -129.41 145.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.93 158.14 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.785 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -133.6 143.05 48.4 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -125.62 144.45 50.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 0.0 111.319 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.462 178.643 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.292 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -124.35 141.68 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.374 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 m -129.39 133.09 47.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.06 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.13 133.34 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -139.69 154.8 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.781 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.71 150.87 22.0 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.78 170.04 31.85 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.134 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -119.92 144.13 47.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.583 . . . . 0.0 109.545 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.18 146.77 40.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.832 0.349 . . . . 0.0 111.252 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -121.21 140.15 52.42 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -118.54 137.76 53.0 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.814 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -111.51 139.04 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.334 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.85 107.97 19.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.238 0.542 . . . . 0.0 109.987 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -84.78 121.82 28.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.969 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.31 -14.71 60.27 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.68 -174.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -116.5 144.95 43.69 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 117.683 0.742 . . . . 0.0 109.472 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.1 mtt -94.09 97.78 10.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.323 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.46 155.37 0.86 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.018 0.437 . . . . 0.0 111.093 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -130.99 146.41 52.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.497 173.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.0 mtp -132.65 158.57 41.95 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.968 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.14 141.18 12.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.25 168.15 31.94 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.9 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -128.35 150.72 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -125.75 139.49 53.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.475 0.179 . . . . 0.0 111.391 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.0 mt -122.89 137.21 55.0 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -128.55 146.57 50.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 112.039 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -121.86 139.04 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.765 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -120.96 139.32 53.42 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.295 0.372 . . . . 0.0 110.913 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -129.55 141.72 50.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -140.07 145.96 38.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.707 0.289 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -97.74 141.57 30.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.184 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -68.48 -45.04 73.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -104.18 -13.41 16.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -147.29 74.28 11.76 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.12 134.52 19.54 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 120.927 1.085 . . . . 0.0 113.497 -170.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.13 135.22 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.77 116.61 5.15 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 119.7 -1.238 . . . . 0.0 110.125 -171.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.96 130.73 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -123.89 131.82 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.4 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.8 129.86 8.88 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -127.94 137.09 52.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.987 0.394 . . . . 0.0 111.296 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -112.29 127.88 56.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 m -113.82 129.64 56.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.38 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -118.72 120.97 39.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -127.14 146.24 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.177 0.298 . . . . 0.0 110.559 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.234 0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.287 -176.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.46 0.058 0 CA-C-O 120.547 0.213 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -133.68 132.22 40.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -128.21 138.94 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.5 137.01 8.95 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.555 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.3 t -140.11 160.18 40.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.039 0.447 . . . . 0.0 111.753 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.78 151.71 37.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.328 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.4 135.61 5.29 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.035 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.38 163.22 34.89 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 CA-C-N 120.057 1.928 . . . . 0.0 111.992 167.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.0 153.96 22.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.677 0.275 . . . . 0.0 110.811 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--N 1.333 -0.14 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.7 mt -124.84 151.7 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.818 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.06 147.92 50.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.91 145.38 17.37 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.49 154.1 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.597 -170.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.11 153.65 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 170.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.89 -178.59 39.45 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.865 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.35 140.69 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.44 148.96 18.86 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -128.07 144.24 51.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.321 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.109 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -98.77 139.27 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.514 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -136.06 155.12 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.02 32.84 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.08 142.98 45.11 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.9 m -133.99 147.69 51.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.972 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -152.85 161.39 42.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.0 -177.14 47.71 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.563 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.8 43.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.589 0.233 . . . . 0.0 110.543 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.3 161.55 27.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.552 -178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 mp -125.3 152.91 44.05 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -109.89 139.23 45.2 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.785 177.126 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 140.95 48.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 tp -116.24 132.82 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.66 134.49 53.74 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.482 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -127.79 138.78 52.85 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.933 0.771 . . . . 0.0 109.536 174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 m -142.98 157.02 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.109 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -109.97 121.65 45.73 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -116.31 134.38 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.008 0.432 . . . . 0.0 111.306 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -130.09 141.26 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.288 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -137.96 146.34 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -118.85 123.21 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.797 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.6 mt -127.49 94.88 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 15.06 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -165.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t 74.45 -9.06 1.36 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.88 134.46 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.11 129.43 51.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.673 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.0 t -120.06 135.11 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 123.99 5.72 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.4 m -125.55 133.86 52.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.39 132.51 54.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.375 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 43.5 pt -121.99 141.51 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.278 0.561 . . . . 0.0 111.118 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 138.23 29.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.425 172.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.08 178.49 36.12 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.155 -1.022 . . . . 0.0 112.168 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.8 m -133.19 151.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.67 162.68 26.98 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.89 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -136.9 143.08 42.78 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -119.08 145.59 45.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.122 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.763 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.699 0.285 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -126.32 148.57 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.206 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -127.56 133.24 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.86 127.99 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -137.49 146.65 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.245 0.341 . . . . 0.0 110.483 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 150.86 21.44 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.17 170.1 33.8 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.747 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -124.4 144.23 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.164 -0.518 . . . . 0.0 109.698 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 144.38 38.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.28 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -118.53 140.04 50.51 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -119.76 138.56 53.25 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.993 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -103.49 139.02 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.68 107.93 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -86.25 121.86 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.573 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.51 59.48 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.726 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -116.48 145.33 43.38 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 117.611 0.705 . . . . 0.0 109.221 171.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -88.0 160.43 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 71.45 141.86 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.964 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -90.93 162.08 14.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.071 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -123.43 153.07 40.94 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.552 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.96 138.61 10.04 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.01 168.18 32.37 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.199 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.65 153.49 39.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -134.48 141.14 46.66 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.07 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.86 135.97 54.7 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.72 140.91 51.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.143 0.497 . . . . 0.0 111.968 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -127.63 139.16 52.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.705 175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.11 140.33 39.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.837 0.351 . . . . 0.0 111.764 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -122.99 141.95 51.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -122.13 145.88 47.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -96.49 139.89 31.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.375 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -66.93 -45.07 78.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -173.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.1 -13.33 16.3 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.03 134.39 36.79 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.765 0.977 . . . . 0.0 113.075 -169.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 tp -126.27 135.29 51.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.234 171.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.74 116.71 5.18 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.92 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.05 130.81 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.36 129.98 6.44 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -126.3 137.11 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.931 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -106.59 124.31 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.6 p -114.02 134.57 54.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -127.82 120.97 28.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 p -128.72 154.47 46.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.847 0.356 . . . . 0.0 110.329 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.942 178.497 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -132.16 127.47 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.22 0.325 . . . . 0.0 110.547 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -121.76 137.64 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.75 135.14 7.52 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.749 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.31 133.6 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -140.21 159.24 42.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.029 0.442 . . . . 0.0 111.467 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.69 150.59 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.482 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.86 156.7 28.27 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.247 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.36 163.37 34.67 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.656 2.237 . . . . 0.0 113.321 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.45 155.05 45.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.193 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.231 0.127 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.688 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.461 0.094 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -124.98 151.6 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -148.15 158.66 44.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.388 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.63 145.66 17.12 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.76 157.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.396 0.598 . . . . 0.0 111.723 -171.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.96 153.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.8 178.86 37.5 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.091 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.61 144.72 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.59 150.9 19.8 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.801 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -123.73 135.03 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 178.458 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.768 0.318 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -95.99 136.12 36.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.386 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -116.89 140.27 49.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.561 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.61 156.12 24.55 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.469 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.13 144.18 43.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -130.54 144.56 51.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.685 0.279 . . . . 0.0 111.378 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -142.14 144.55 33.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.419 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.22 179.33 43.89 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.35 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.86 159.14 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.26 158.33 27.44 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.688 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.82 139.84 53.58 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -112.69 131.78 55.49 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.117 0.261 . . . . 0.0 110.308 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.588 -179.773 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.231 0.083 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.08 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.393 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.34 140.56 45.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -125.41 126.98 45.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.43 132.57 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -135.77 149.34 49.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.128 0.49 . . . . 0.0 111.61 -176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.89 118.85 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -118.99 134.69 55.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.029 0.443 . . . . 0.0 111.287 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.81 135.16 52.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -131.22 145.37 51.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -117.97 122.23 42.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.578 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.0 mt -127.41 94.77 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 15.11 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 74.75 -9.92 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 171.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.4 t -103.45 134.57 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 118.485 0.584 . . . . 0.0 109.663 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -103.95 127.65 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.779 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -121.02 133.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 124.49 5.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 32.2 m -123.22 137.29 54.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.051 0.453 . . . . 0.0 111.305 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -108.38 122.13 46.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.368 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 69.4 mt -116.2 128.69 73.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.47 138.74 34.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.096 174.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.71 -178.03 35.28 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.674 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.63 153.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.9 165.8 28.02 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.837 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -133.15 143.2 49.07 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -99.32 139.32 35.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.986 178.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.769 0.319 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -129.49 151.81 49.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.438 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.7 m -131.0 133.17 45.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.61 132.61 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -141.05 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.87 151.0 23.0 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.95 170.05 32.55 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.888 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -125.17 144.17 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.246 -0.477 . . . . 0.0 109.817 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.16 146.54 40.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.169 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -114.18 140.1 48.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.361 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 m -118.79 140.34 50.11 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.957 -174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -113.14 138.49 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.238 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.73 107.95 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.208 0.528 . . . . 0.0 110.222 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -82.97 121.83 27.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.922 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -14.58 60.89 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.73 -175.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -116.59 141.33 48.33 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.602 0.701 . . . . 0.0 109.431 170.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.3 mtm -91.59 97.81 11.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.35 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -177.6 152.97 0.84 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 111.37 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -124.82 143.68 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.9 mtm -132.41 158.65 41.45 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.219 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.0 136.39 7.51 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.72 168.03 29.27 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.601 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.56 153.51 40.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -131.55 138.67 49.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.197 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.9 135.87 54.66 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -134.23 139.17 45.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.047 0.451 . . . . 0.0 111.48 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.96 136.37 54.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.963 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -138.04 140.21 39.97 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 0.0 111.072 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -131.11 142.03 50.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.823 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -131.15 147.71 52.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -93.28 141.37 28.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.545 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.17 -45.14 77.87 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -103.85 -13.32 16.44 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 p -147.11 75.54 11.61 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.1 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 120.874 1.049 . . . . 0.0 113.418 -168.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.0 tp -126.26 135.1 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.03 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.95 116.82 5.23 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -175.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.89 130.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 pt -130.34 144.6 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.08 130.01 5.93 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -126.82 137.17 53.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -117.26 126.75 53.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -122.76 143.38 49.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.581 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -131.69 128.5 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.475 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.9 m -129.13 145.93 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.114 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.321 0.105 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -134.44 131.5 38.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.343 0.402 . . . . 0.0 110.415 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -128.98 143.52 50.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.86 137.2 8.28 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.668 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -116.14 127.56 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -130.76 160.54 34.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.044 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.55 157.79 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.571 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.01 163.02 30.36 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.469 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.37 163.32 34.74 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.758 2.305 . . . . 0.0 113.627 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.73 151.75 50.47 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.607 -175.317 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.0 tt -132.15 151.71 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -145.82 153.24 40.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.064 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.06 145.7 17.53 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.06 157.63 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.065 0.459 . . . . 0.0 111.693 -174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.5 153.72 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.18 -176.05 37.08 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.944 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.78 143.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.03 154.56 21.22 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.307 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -125.87 145.48 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.555 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.92 146.37 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -134.04 156.85 47.49 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 111.635 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -147.25 168.79 28.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.16 145.53 40.8 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 t -134.06 144.14 48.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.269 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -146.51 151.31 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.027 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.13 47.82 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.975 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.62 154.65 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.27 166.65 28.06 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.763 -176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 73.5 mt -130.4 155.05 47.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.81 141.36 52.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.719 0.295 . . . . 0.0 110.805 178.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.112 -178.747 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.231 0.12 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.89 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.436 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -112.3 142.06 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -131.13 139.71 49.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.449 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.33 144.61 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.91 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.6 t -143.19 152.58 41.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 111.049 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -105.8 114.91 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -114.19 138.07 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -133.2 140.84 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.755 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -133.57 147.43 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 111.011 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -117.08 120.09 37.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.555 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -127.46 94.83 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 16.49 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -165.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 p 73.35 -8.57 1.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.34 132.35 51.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.659 0.663 . . . . 0.0 109.335 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.94 122.43 45.18 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.632 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -113.82 132.76 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 125.74 6.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.1 m -128.76 133.85 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.257 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -109.84 128.78 55.55 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -126.25 137.12 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 111.132 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -138.65 144.69 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.714 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.89 -177.94 33.44 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.65 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.26 147.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.03 164.16 26.52 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.633 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -136.46 143.2 43.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -118.3 143.98 46.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 111.08 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.884 179.685 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.3 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -127.64 141.97 51.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.0 m -128.53 133.16 48.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.138 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.26 134.45 66.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.8 m -134.03 147.4 50.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 150.89 20.46 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.35 170.19 34.46 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.236 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -121.38 143.57 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.83 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 111.321 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -117.36 140.12 49.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.441 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -116.81 131.13 57.03 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.806 -174.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -108.8 139.04 44.18 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.34 107.99 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 110.747 -173.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -84.67 121.82 28.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.741 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.37 -14.69 58.84 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.663 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -116.46 147.67 41.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.664 0.732 . . . . 0.0 109.27 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 93.1 mmm -89.58 164.92 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.966 0.412 . . . . 0.0 111.107 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 68.0 116.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.342 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -80.62 162.23 24.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.041 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -133.18 164.02 27.98 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.745 -173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.84 142.61 13.81 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.58 167.06 28.67 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.39 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.99 150.1 41.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.131 -0.534 . . . . 0.0 109.631 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.49 136.97 53.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.816 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 135.99 54.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -129.7 135.77 48.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 111.753 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -126.34 137.83 53.51 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -136.33 140.08 43.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -126.57 141.7 51.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.455 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -131.93 146.63 52.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.27 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.3 146.07 24.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.144 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.62 -45.22 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -104.29 -13.29 16.21 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -147.23 76.73 11.07 Favored Pre-proline 0 C--O 1.234 0.263 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.5 134.4 28.43 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.709 0.939 . . . . 0.0 113.197 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.35 134.93 50.94 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 170.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.86 116.72 5.19 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 119.751 -1.214 . . . . 0.0 110.207 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.69 130.74 73.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.3 pt -129.66 142.76 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.78 129.98 7.26 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -127.99 137.03 52.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.49 127.97 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.9 m -120.13 133.09 55.6 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.5 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -122.08 122.79 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 m -125.4 139.44 53.66 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.43 0.456 . . . . 0.0 110.315 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 . . . . . 0 C--N 1.331 -0.211 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -174.735 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.184 0.04 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -149.45 155.59 40.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.214 0.53 . . . . 0.0 111.703 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.41 143.7 51.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.93 135.46 8.49 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.0 mt -116.26 125.83 73.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -140.13 160.02 40.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.026 0.441 . . . . 0.0 111.578 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.46 154.63 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.359 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.56 140.39 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.099 -1.048 . . . . 0.0 112.902 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 163.09 35.04 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 CA-C-N 119.697 1.749 . . . . 0.0 111.595 166.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.87 152.78 41.59 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.166 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.2 t80 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.613 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.04 151.63 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -148.0 157.42 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.885 176.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -134.04 145.66 17.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.14 151.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 111.416 -172.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.85 153.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.54 39.18 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.028 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -129.99 139.88 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.37 137.54 10.71 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.04 138.55 52.62 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -176.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.461 0.116 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -95.93 132.72 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -134.66 155.53 50.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.122 0.487 . . . . 0.0 112.144 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.53 171.7 30.35 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.04 143.57 44.09 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.2 m -131.98 146.68 52.24 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.23 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -147.24 151.34 36.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.929 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.75 -178.33 44.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.847 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.03 157.91 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.24 161.61 28.5 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.82 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.48 138.3 52.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.15 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.2 p90 . . . . . 0 N--CA 1.465 0.283 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.396 -175.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.04 157.01 47.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.114 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.6 mt -116.05 146.07 42.48 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -123.57 126.93 47.54 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.141 0.275 . . . . 0.0 110.296 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -119.82 126.3 50.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.301 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -143.06 146.19 33.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -117.28 121.36 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.685 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.97 136.92 54.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.969 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -125.27 145.02 50.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.4 t -137.66 146.39 43.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 111.085 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -118.37 121.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.492 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.0 tt -127.56 95.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 17.05 95.16 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -165.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t 74.2 -8.67 1.4 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 169.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.0 t -105.63 135.29 44.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.573 0.624 . . . . 0.0 109.37 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.0 127.46 51.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.49 128.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.17 127.2 6.86 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 59.4 p -125.74 144.07 50.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.155 0.503 . . . . 0.0 111.15 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -118.11 121.96 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.45 136.96 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 111.197 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.18 143.65 34.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.52 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.81 -177.98 30.46 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.232 -0.985 . . . . 0.0 112.207 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -136.8 149.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 160.73 26.73 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.627 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -128.33 143.09 50.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.387 -0.406 . . . . 0.0 109.967 -177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -108.27 135.74 49.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.411 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -125.24 149.14 48.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.13 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.7 m -127.18 133.14 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.07 134.02 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 t -141.03 156.32 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.054 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 151.03 21.88 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.97 31.47 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.286 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -117.84 143.31 46.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.19 144.28 38.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -121.8 140.09 52.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.293 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -125.39 147.17 49.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -130.0 139.09 51.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.213 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.35 107.8 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.448 0.642 . . . . 0.0 110.078 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.36 121.91 18.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.936 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.75 -14.69 64.42 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.607 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -116.51 158.25 23.91 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.773 0.786 . . . . 0.0 109.961 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.0 mtt -102.06 97.94 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -175.92 152.51 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.971 0.415 . . . . 0.0 111.705 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.4 145.67 49.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.721 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.8 mtp -135.08 158.47 44.28 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.662 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.44 138.79 9.96 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.9 168.05 28.78 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.202 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.56 150.55 41.49 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -132.62 140.17 48.09 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.116 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.9 136.5 54.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -129.57 144.8 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.199 0.523 . . . . 0.0 111.836 -174.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -124.48 138.99 54.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.962 174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -138.02 140.1 39.96 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 123.212 0.32 . . . . 0.0 111.523 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.62 142.0 51.12 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.0 148.07 51.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.299 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -102.06 141.03 35.54 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.303 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.13 -45.22 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -104.08 -13.39 16.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.22 72.9 12.05 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.06 134.48 19.59 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 120.908 1.072 . . . . 0.0 113.414 -170.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -126.12 127.35 45.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.09 116.93 5.27 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.416 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.36 130.68 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -125.23 130.99 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.581 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.8 129.84 8.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -128.1 137.1 52.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -116.51 128.79 55.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -119.64 133.54 55.6 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.999 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.39 122.82 41.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 108.956 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -127.56 144.61 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.415 -177.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.54 0.21 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -134.29 132.93 40.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.074 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -132.88 138.14 46.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.31 137.15 8.87 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.973 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.19 126.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.15 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.063 0.459 . . . . 0.0 111.74 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.61 152.58 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.433 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.51 139.4 6.98 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.803 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -75.46 163.19 34.77 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 CA-C-N 119.826 1.813 . . . . 0.0 111.949 168.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.11 151.56 46.78 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.438 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.592 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.233 0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -124.92 151.8 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -148.03 159.14 44.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.085 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.87 145.57 17.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 151.79 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 111.406 -172.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.03 153.76 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.94 -177.39 38.66 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.888 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.35 139.44 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.66 14.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -124.92 143.97 50.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.732 0.301 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -98.26 144.81 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -135.99 157.6 46.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 111.425 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.6 175.13 32.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.05 143.92 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.9 p -134.05 149.06 51.13 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -154.45 162.38 41.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.09 -175.57 47.55 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.06 157.33 46.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.25 159.23 27.92 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.686 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.04 136.96 48.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -110.22 133.98 52.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.513 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.332 -0.155 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.764 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 152.24 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.169 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.67 141.69 44.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.206 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -120.32 126.91 51.7 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -123.38 129.6 51.52 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.0 m -143.05 153.68 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.366 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -114.13 124.87 53.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.359 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -121.6 135.19 55.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.022 0.439 . . . . 0.0 111.401 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -128.37 144.71 51.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.489 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -138.07 140.3 39.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -119.27 129.61 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.683 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -127.1 112.14 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -45.09 95.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.135 0.897 . . . . 0.0 112.578 -158.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m 148.13 -53.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 125.671 1.857 . . . . 0.0 109.288 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.46 139.12 33.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.605 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -104.02 118.89 37.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.804 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.3 t -110.64 133.95 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 O-C-N 122.271 -0.268 . . . . 0.0 110.411 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 132.77 9.3 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.009 -1.237 . . . . 0.0 110.009 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.3 m -132.87 136.75 46.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.894 0.347 . . . . 0.0 111.103 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -106.96 126.29 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.1 tt -128.06 135.06 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.058 0.456 . . . . 0.0 111.083 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.04 147.06 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.815 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.72 -177.96 32.29 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.13 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.85 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 162.11 26.75 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.818 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -129.9 143.23 50.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.525 -0.337 . . . . 0.0 110.242 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -94.7 139.32 31.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.16 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.598 178.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.26 145.38 49.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.403 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -130.06 133.27 46.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -123.24 132.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 p -136.16 161.68 35.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.026 0.441 . . . . 0.0 110.593 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 150.85 23.06 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.8 170.15 34.15 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.231 -176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -120.54 143.95 48.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 150.61 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.09 140.12 50.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.538 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.0 p -124.28 145.71 49.22 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.138 -174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -128.07 139.06 52.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.098 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.03 107.91 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 110.466 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -73.24 121.88 21.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.915 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.94 -14.62 64.78 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.84 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -116.59 154.69 30.03 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 117.706 0.753 . . . . 0.0 109.755 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.4 mtm -101.99 97.86 8.14 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.858 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -175.23 151.38 1.27 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.286 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -135.12 137.56 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.457 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -128.85 149.66 50.66 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.297 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.52 131.46 6.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.04 168.36 28.24 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.264 -174.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -120.98 152.51 38.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -136.07 141.86 44.28 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.193 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.7 mt -128.66 135.91 49.93 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -146.07 158.02 43.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.371 0.605 . . . . 0.0 112.444 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -131.94 139.36 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.619 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -125.08 140.08 53.21 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.322 0.389 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -123.33 140.79 52.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -131.98 148.13 52.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.139 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -89.3 142.04 28.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.33 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -67.47 -45.05 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -104.13 -13.32 16.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 p -147.21 73.02 12.05 Favored Pre-proline 0 C--O 1.235 0.303 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -68.51 134.5 30.92 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 120.873 1.048 . . . . 0.0 113.228 -169.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.25 135.08 51.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.99 116.83 5.34 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.42 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -127.87 130.65 70.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 tt -135.71 140.38 44.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.96 131.35 8.42 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m -127.87 137.2 52.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.538 0.209 . . . . 0.0 111.114 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -119.18 127.23 53.11 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 m -124.06 140.88 52.55 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.89 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -131.58 130.15 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 p -122.23 148.95 44.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -177.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.754 -179.844 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.03 144.45 32.28 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.32 0.388 . . . . 0.0 111.02 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -136.12 140.18 43.5 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.5 137.16 8.54 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.047 -174.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.05 130.14 71.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.05 159.96 41.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.213 0.53 . . . . 0.0 111.774 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.97 149.93 31.1 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.11 142.25 9.51 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.087 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.45 163.19 34.82 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.802 1.668 . . . . 0.0 111.582 166.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.69 155.13 50.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 C--O 1.233 0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.992 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -124.95 151.67 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -135.48 149.3 49.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.23 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.86 145.39 17.37 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.9 m -137.85 152.01 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 112.146 -169.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.52 153.65 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.03 -178.56 40.52 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.796 -1.192 . . . . 0.0 112.122 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -134.55 139.55 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.11 145.53 16.69 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -128.05 147.01 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.113 -178.273 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.973 0.416 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -95.98 135.23 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.528 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.13 154.4 36.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 111.896 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 168.48 25.76 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.273 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -109.67 138.65 45.73 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.7 p -130.74 145.99 52.09 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.653 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -146.46 151.2 37.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.34 -178.68 43.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.984 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.21 158.53 43.98 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.42 165.26 29.94 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.4 mt -128.9 149.96 50.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -116.67 137.26 52.32 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.183 0.302 . . . . 0.0 110.542 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.434 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.78 149.83 36.33 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.61 138.29 50.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.885 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.75 137.15 52.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -136.31 141.66 43.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.5 m -143.06 154.65 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.387 . . . . 0.0 111.024 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.82 117.9 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -114.24 134.34 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.25 133.43 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.596 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m -126.23 137.83 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.27 130.07 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.202 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 85.4 mt -127.25 110.03 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 168.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -45.15 95.14 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.227 0.954 . . . . 0.0 112.657 -158.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.0 m 150.52 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 125.389 1.681 . . . . 0.0 109.016 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 p -109.45 137.26 42.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.309 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.16 119.35 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.945 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.2 132.41 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.36 -177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 132.95 9.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 32.1 m -133.45 139.19 46.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -106.06 131.69 53.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.601 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.2 mt -121.04 131.31 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.769 0.318 . . . . 0.0 110.54 -177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.6 139.19 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.962 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.63 -177.95 35.14 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.522 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.47 155.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.06 157.02 25.84 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.695 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -131.67 142.43 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -119.9 137.76 53.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.596 179.729 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.704 0.287 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.15 147.93 52.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.352 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -130.91 133.22 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.88 128.0 68.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -136.11 146.47 47.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.329 0.393 . . . . 0.0 110.77 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.68 150.79 22.54 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 174.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.8 170.03 33.59 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.906 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -121.46 144.1 48.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.066 -0.567 . . . . 0.0 109.762 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 147.43 41.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.061 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.42 140.05 53.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -121.2 138.48 54.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.94 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -115.89 139.05 50.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.286 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.34 107.95 19.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.362 0.601 . . . . 0.0 110.156 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -82.87 121.92 27.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.007 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.24 -14.6 57.2 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.738 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -116.42 144.85 43.77 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.598 0.699 . . . . 0.0 109.622 171.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.2 mtt -90.93 97.82 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.066 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -176.85 147.3 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -134.91 146.7 49.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.931 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 93.5 mmm -131.79 147.5 52.49 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.08 -176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.97 131.59 6.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.9 168.26 29.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.465 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -130.09 156.4 44.59 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -144.02 150.19 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.374 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.65 138.92 53.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.552 177.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.93 141.07 51.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.98 139.09 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.559 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -134.78 140.28 45.77 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.911 0.386 . . . . 0.0 111.795 -175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -124.08 136.51 54.29 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.56 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -134.06 148.14 51.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.031 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -100.39 144.48 29.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.289 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -67.6 -45.12 76.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -100.76 -13.23 18.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -147.1 74.89 11.84 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.48 134.59 33.66 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 120.867 1.045 . . . . 0.0 112.9 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.22 132.32 51.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 172.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.79 116.84 5.21 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.84 130.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -125.74 131.99 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.975 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.83 129.71 7.37 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 171.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -128.26 137.1 51.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 111.26 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.9 125.41 54.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.5 m -118.57 135.43 54.43 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.763 -175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -123.49 123.53 40.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 p -123.22 142.65 50.7 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.466 0.479 . . . . 0.0 110.241 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.18 -178.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.459 0.171 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.02 136.69 48.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -124.11 139.95 53.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.38 130.8 6.14 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.64 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.27 127.97 73.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -140.05 159.98 40.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.154 0.502 . . . . 0.0 111.853 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.01 150.36 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.187 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.3 139.72 7.23 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.681 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.35 163.08 35.25 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 CA-C-N 119.847 1.823 . . . . 0.0 111.223 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.57 149.83 42.89 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.599 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.069 -178.522 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -128.26 151.88 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -144.3 159.02 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.97 145.7 17.67 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.75 148.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 117.253 0.526 . . . . 0.0 111.735 -170.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.7 153.84 35.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.07 -179.8 40.81 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.006 -1.092 . . . . 0.0 112.197 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.5 t -127.46 138.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.05 133.64 10.03 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.57 138.11 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 -177.404 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.664 0.268 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -102.03 143.4 31.93 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -136.09 154.96 50.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 111.666 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.47 170.96 29.67 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.06 144.56 42.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.365 0.082 . . . . 0.0 110.799 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -128.43 142.63 51.04 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.249 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -136.53 145.59 45.23 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.471 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.62 179.87 42.39 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.329 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.58 157.11 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.52 159.23 27.96 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.887 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.78 146.41 48.35 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -109.93 131.7 54.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.526 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.332 -0.167 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.373 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.231 0.088 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.01 152.24 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.24 145.51 46.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -122.09 126.98 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -116.95 126.14 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.839 0.712 . . . . 0.0 109.454 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.8 t -143.08 148.07 36.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.0 111.395 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -115.98 122.3 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.625 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -117.85 138.06 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.177 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -125.56 138.69 53.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.2 m -130.42 145.91 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -116.32 120.56 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.489 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.4 94.74 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 15.5 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.985 1.314 . . . . 0.0 114.414 -165.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.7 t 74.04 -8.81 1.36 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -104.68 134.32 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 118.538 0.608 . . . . 0.0 109.461 177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -103.34 123.3 46.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.598 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.97 133.07 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 132.02 8.94 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 31.0 m -126.43 136.18 52.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.066 0.46 . . . . 0.0 111.287 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -107.34 121.89 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.9 tt -127.27 137.19 58.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.084 0.468 . . . . 0.0 111.405 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 139.09 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.831 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.48 169.75 26.97 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.251 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.9 t -137.44 144.99 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.62 168.21 27.42 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.685 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -134.09 143.15 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.553 0.216 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -103.51 141.54 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.752 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.557 179.255 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -128.49 151.51 49.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.222 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.2 m -130.34 133.19 46.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.475 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.71 128.43 71.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.1 p -131.39 158.53 40.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 0.0 110.796 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 150.8 23.06 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 171.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.38 170.06 33.37 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.112 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.86 143.91 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.15 144.43 38.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -123.09 140.04 53.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -122.35 141.41 51.59 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.007 -174.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -107.46 136.95 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.66 107.93 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.171 0.51 . . . . 0.0 110.677 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -79.27 121.98 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.496 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.65 -14.51 64.75 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.695 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -116.44 146.05 42.82 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.774 0.787 . . . . 0.0 109.48 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.4 mtt -86.56 160.48 18.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 66.93 135.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.812 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -85.16 162.17 19.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.2 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mtp -115.96 150.1 37.71 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.446 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.72 138.15 9.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.81 168.16 31.12 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.273 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.97 150.25 41.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -133.66 137.65 45.48 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.144 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 tp -124.18 135.88 53.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -130.58 142.6 50.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.697 -174.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.064 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -130.36 140.11 50.63 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.767 0.318 . . . . 0.0 111.217 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -127.21 142.01 51.59 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.99 146.13 52.28 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.11 146.53 24.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.149 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -71.38 -45.16 63.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -104.19 -13.31 16.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -147.26 75.57 11.46 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.06 134.4 19.47 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.716 0.944 . . . . 0.0 113.294 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -126.15 135.28 51.47 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.84 116.66 5.17 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -174.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -124.01 130.82 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 tt -126.61 132.12 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.803 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.93 129.94 8.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 m -125.46 137.14 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.966 0.412 . . . . 0.0 111.219 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -113.58 122.84 48.43 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 t -119.74 135.8 54.7 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.635 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -129.97 124.63 33.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.391 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.3 p -129.27 154.73 46.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.318 177.69 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.47 0.176 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 131.03 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.895 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.79 150.39 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 137.25 8.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -174.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.94 125.84 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -130.81 160.0 35.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.147 0.499 . . . . 0.0 111.445 -176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.59 146.32 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.255 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.66 138.41 6.65 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.659 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.29 163.11 35.31 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 CA-C-N 119.888 1.844 . . . . 0.0 111.465 167.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.66 154.19 42.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.54 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.042 -177.713 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.41 HG22 HD13 ' A' ' 79' ' ' ILE . 44.2 pt -125.54 151.92 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.419 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -146.63 159.09 43.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.895 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.96 145.68 17.65 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.91 151.14 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 111.413 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.3 153.67 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.96 178.67 39.96 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.328 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.12 138.33 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -119.62 140.74 15.05 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -122.74 133.17 54.49 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 175.711 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.764 0.316 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.89 123.97 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -113.09 138.38 50.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.715 0.293 . . . . 0.0 111.034 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.07 160.17 25.74 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.11 143.65 43.99 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.3 t -131.11 139.42 49.84 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -137.35 142.86 41.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.43 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.96 -177.87 41.14 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.21 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.54 159.05 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.34 158.46 27.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.465 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.48 136.81 53.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -109.84 129.26 55.66 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.316 0.385 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.331 -0.209 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.454 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -140.77 151.69 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.143 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.92 143.28 49.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.45 127.12 43.55 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.402 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.77 133.04 54.92 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.2 t -143.07 143.54 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 111.338 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -115.22 123.27 48.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.443 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.29 138.13 54.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.345 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -116.77 139.97 49.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.8 t -132.8 141.0 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.388 . . . . 0.0 111.047 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -113.49 117.83 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.292 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.42 94.91 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 15.24 95.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -165.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 p 73.45 -7.53 1.53 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.94 133.54 47.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 118.552 0.615 . . . . 0.0 109.585 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -104.05 121.23 42.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.665 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.14 133.12 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.659 0.266 . . . . 0.0 110.378 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 127.45 6.97 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -123.21 134.98 54.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -114.29 121.92 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.2 tt -126.44 138.44 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.051 0.453 . . . . 0.0 111.03 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.96 140.8 34.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.744 175.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.42 175.48 30.26 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.911 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.97 149.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -151.19 177.43 29.17 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -135.04 143.24 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.375 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -106.74 140.15 40.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.858 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.694 0.283 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.19 146.0 48.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.147 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.0 p -130.4 133.37 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.055 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.62 132.48 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -136.32 165.45 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.704 -176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.73 22.59 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.13 170.02 34.86 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.842 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -128.73 144.23 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.213 -0.493 . . . . 0.0 109.938 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.28 147.2 41.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -115.2 140.06 49.41 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 m -120.6 139.56 52.79 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.25 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.19 125.26 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.92 107.85 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.344 0.593 . . . . 0.0 110.117 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -85.01 121.93 28.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.42 -14.32 60.92 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.708 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -116.23 174.08 6.25 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 117.715 0.758 . . . . 0.0 110.118 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -94.57 153.66 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.437 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.282 0.989 . . . . 0.0 113.13 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -108.82 162.13 14.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.849 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mtm -117.97 159.4 23.23 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.79 141.49 11.99 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.22 168.05 32.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.923 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.19 155.11 45.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -143.97 150.19 37.93 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.789 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -123.78 140.5 52.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.402 175.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -120.92 142.38 49.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.2 0.524 . . . . 0.0 111.474 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -121.98 139.12 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.603 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -129.98 140.24 50.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -122.73 134.73 54.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.269 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -126.93 146.18 50.4 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.798 0.333 . . . . 0.0 111.115 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.62 140.45 32.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.32 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -67.59 -44.86 77.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.27 -13.27 17.44 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -147.15 73.88 11.96 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -59.89 134.51 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.907 1.071 . . . . 0.0 112.896 -170.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.3 135.2 51.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.271 172.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.73 116.85 5.21 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.98 130.76 74.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.43 130.83 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.81 129.88 6.74 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -128.06 137.1 52.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.259 -175.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -114.32 122.63 47.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.2 m -121.81 137.69 54.67 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -123.81 129.94 51.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.343 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.6 p -128.05 153.6 46.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.422 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.776 179.096 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 N--CA 1.461 0.108 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -141.81 138.25 32.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.289 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -135.98 151.32 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.96 137.31 6.84 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.49 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.02 140.19 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.1 p -133.43 161.12 35.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.098 0.475 . . . . 0.0 111.508 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.07 144.98 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.084 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 159.64 31.36 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 119.614 -1.279 . . . . 0.0 114.122 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.31 163.15 35.19 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.231 1.954 . . . . 0.0 113.016 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.16 154.99 40.88 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.466 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.333 -0.139 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.376 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.23 0.063 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.9 tt -137.68 151.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.348 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -147.08 154.87 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.973 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.28 145.66 16.95 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.14 157.27 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 117.223 0.511 . . . . 0.0 111.608 -173.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.98 153.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.56 179.53 38.57 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.28 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.27 143.51 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.11 153.69 20.85 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -128.05 145.49 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.805 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.93 128.16 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -128.65 155.73 44.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.077 0.465 . . . . 0.0 111.515 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.07 169.54 30.12 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -113.13 147.09 38.05 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -134.17 141.04 46.93 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.102 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -135.45 144.48 46.47 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -169.04 175.55 43.41 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 119.88 -1.153 . . . . 0.0 112.565 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.95 157.36 43.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.07 164.84 28.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.507 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.05 144.09 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -114.34 129.59 56.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.302 0.376 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.184 179.668 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.62 152.71 51.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.6 142.57 46.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -127.37 127.22 43.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.516 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -122.91 131.93 53.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.576 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.2 t -143.02 147.61 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.96 0.41 . . . . 0.0 111.423 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.531 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -114.54 136.5 52.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -175.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -122.52 130.0 52.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -131.49 143.74 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -117.52 119.97 36.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.253 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.0 mt -127.4 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 14.88 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -164.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 p 74.4 -9.14 1.34 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.15 134.02 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 CA-C-N 118.569 0.622 . . . . 0.0 109.583 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.0 129.83 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 122.28 5.14 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 32.1 m -123.78 134.62 53.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.017 0.437 . . . . 0.0 111.553 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -110.59 127.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.8 tt -130.14 141.54 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.454 . . . . 0.0 111.527 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.76 145.06 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.9 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.95 30.63 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.951 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -128.49 154.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.01 151.33 22.43 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.637 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.9 143.04 50.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -117.28 144.91 44.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.308 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -126.87 142.0 51.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.216 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m -130.52 133.16 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.06 128.83 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 m -133.27 145.99 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.379 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.67 150.85 20.0 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.83 170.04 34.7 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.145 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -131.13 144.1 51.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.952 -0.624 . . . . 0.0 109.966 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 149.35 44.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -116.68 140.08 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -122.47 138.45 54.55 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.95 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -115.51 127.01 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.09 107.89 17.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.313 0.578 . . . . 0.0 110.242 -174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -70.36 122.0 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.414 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.93 -14.37 60.16 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 124.209 0.943 . . . . 0.0 112.703 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -116.42 162.05 18.15 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 117.811 0.805 . . . . 0.0 110.145 173.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.8 mtt -102.06 162.75 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 111.183 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 68.59 133.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.999 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -79.97 154.39 28.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.022 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -119.3 153.92 34.31 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.24 136.11 8.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 164.21 28.2 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.893 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -141.82 150.09 41.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.93 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.88 142.12 51.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.731 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -127.04 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.176 0.512 . . . . 0.0 111.817 -169.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.08 139.11 54.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -132.31 140.11 48.45 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.239 0.337 . . . . 0.0 111.048 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -125.13 141.98 51.78 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.474 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -122.6 145.12 48.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.948 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -100.72 141.89 32.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.213 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.96 -45.29 51.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -104.01 -13.33 16.35 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.6 m -147.16 80.92 9.13 Favored Pre-proline 0 C--O 1.234 0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -59.94 134.21 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.723 0.948 . . . . 0.0 112.531 -168.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -126.4 135.24 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.654 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.82 116.73 5.48 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.2 130.8 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -126.72 130.94 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.18 129.9 6.67 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 p -128.27 137.21 51.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 111.248 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -107.01 123.58 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -117.35 135.2 54.03 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.043 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.07 124.5 44.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -122.46 141.64 51.41 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.322 0.389 . . . . 0.0 110.45 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.381 -176.242 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -124.67 137.34 54.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 111.268 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -127.25 133.95 50.14 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.42 137.16 9.31 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.112 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -115.95 128.22 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -134.99 161.11 36.21 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.956 0.408 . . . . 0.0 111.299 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.95 147.47 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.417 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.93 134.43 4.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.644 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.36 163.19 35.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 CA-C-N 120.182 1.991 . . . . 0.0 111.99 168.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.5 155.0 49.37 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -176.666 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.0 mt -125.2 151.8 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.12 159.04 44.34 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.177 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.83 145.7 17.64 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -137.56 146.0 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.776 -170.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.44 154.12 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.08 -172.93 37.77 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.848 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -133.76 142.88 40.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.01 140.41 12.35 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -119.39 137.15 53.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.873 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.697 0.284 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.94 123.32 39.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -121.88 144.78 48.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.979 0.418 . . . . 0.0 111.342 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.22 160.77 25.94 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -113.0 137.84 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.5 m -130.35 144.64 51.51 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.891 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -151.19 159.99 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.45 46.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.37 159.29 42.45 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.88 163.96 28.85 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.841 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -127.55 147.95 50.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.349 -0.426 . . . . 0.0 109.978 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.93 130.53 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.252 0.345 . . . . 0.0 110.148 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.781 -177.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.231 0.123 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.99 143.27 45.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.365 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.25 137.13 50.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -121.24 126.89 50.71 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.039 -0.265 . . . . 0.0 110.287 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -122.93 132.66 54.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.4 t -143.07 148.81 37.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 111.371 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -110.82 118.69 36.82 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.37 134.8 55.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 111.385 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.39 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.447 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -131.32 137.53 48.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.663 0.268 . . . . 0.0 110.323 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -119.36 128.73 54.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.776 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.27 106.14 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -43.8 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.261 0.976 . . . . 0.0 113.352 -158.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 p 149.7 -51.87 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 112.905 -1.952 . . . . 0.0 109.179 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.9 t -109.36 135.13 49.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -171.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -104.19 119.93 40.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.92 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.7 t -114.63 133.25 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.499 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.99 130.89 8.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.5 m -128.03 135.87 50.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.437 . . . . 0.0 111.419 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -108.44 123.2 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -128.56 137.64 56.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.141 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.96 172.42 30.61 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.033 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.46 144.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 161.44 26.75 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.905 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -126.35 143.12 51.28 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -112.38 140.47 47.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.001 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.567 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.3 p -122.77 141.21 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -127.58 142.54 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.167 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.3 m -129.68 133.16 46.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.529 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -116.72 129.03 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 m -135.92 145.99 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.443 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.57 150.85 20.66 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.48 170.08 32.86 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.082 -1.056 . . . . 0.0 112.457 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -125.43 144.04 50.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.887 -0.656 . . . . 0.0 109.6 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.19 148.45 43.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.187 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -121.51 140.18 52.54 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -122.26 143.76 49.4 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.987 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.09 139.02 54.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.226 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.93 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 0.0 110.301 -175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.5 121.83 23.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.029 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.65 64.82 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.715 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -116.58 154.08 31.1 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.695 0.748 . . . . 0.0 109.543 170.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -102.11 97.88 8.13 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.667 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 p-10 -178.76 153.61 0.68 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.956 0.407 . . . . 0.0 111.04 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -131.94 146.49 52.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.1 mtp -134.84 156.35 49.05 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.101 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.58 138.31 10.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.69 168.14 29.86 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.089 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -126.45 155.59 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -135.48 146.71 48.43 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.282 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.2 tp -122.83 136.03 54.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.189 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -123.76 140.59 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.101 0.477 . . . . 0.0 111.678 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -122.12 139.02 54.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.544 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -127.9 140.14 52.18 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.42 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -129.85 138.65 51.09 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.448 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.33 148.1 51.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.071 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.28 141.68 28.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.393 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -67.13 -44.22 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.54 -13.32 17.24 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.234 0.278 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.84 134.5 50.54 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.001 1.134 . . . . 0.0 112.915 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.18 135.2 51.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.175 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.88 116.76 5.21 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -174.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.91 130.82 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.44 130.96 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.247 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.77 8.37 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -128.18 137.09 51.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.356 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.26 127.61 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -115.1 135.23 54.43 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.683 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.31 120.99 32.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.859 0.724 . . . . 0.0 109.056 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 p -126.78 150.28 49.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.474 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -132.28 149.44 52.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.746 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -86.83 138.04 31.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.496 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -87.92 146.46 25.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.474 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -106.6 144.28 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.8 m -119.16 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.095 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.53 123.94 32.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -179.61 -73.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -63.27 -37.22 86.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.624 0.25 . . . . 0.0 111.151 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.44 -7.02 61.48 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.22 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -82.57 144.49 30.32 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 117.98 0.89 . . . . 0.0 110.435 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.17 138.13 54.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -134.52 135.68 42.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.97 116.42 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.403 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -128.07 125.39 39.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.291 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -128.56 143.99 51.07 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.38 133.57 38.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.5 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.57 139.18 53.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.23 137.02 8.48 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.025 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.34 129.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -140.05 159.56 41.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.974 0.416 . . . . 0.0 111.96 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 151.09 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.714 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.62 139.45 7.0 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 120.239 -0.981 . . . . 0.0 113.018 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.43 163.16 34.89 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 119.775 1.788 . . . . 0.0 111.958 168.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.69 41.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.16 130.15 52.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -114.06 128.3 56.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.671 0.272 . . . . 0.0 110.436 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.75 148.62 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 47.95 27.36 1.16 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.502 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.76 28.81 0.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -98.67 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.97 161.47 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.37 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.7 t -123.51 146.72 47.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.228 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.57 151.76 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -146.89 159.08 43.98 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.881 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.95 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.44 151.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 111.328 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.3 153.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.96 38.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.853 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.1 t -129.45 139.45 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.21 147.23 18.07 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -128.0 143.67 51.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.29 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.86 141.02 49.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.58 0.228 . . . . 0.0 110.762 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -135.09 156.3 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.231 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.46 145.52 6.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.0 m -112.92 142.29 45.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.366 0.603 . . . . 0.0 111.747 -172.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 48.0 m -111.73 156.29 22.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.933 175.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -77.66 104.75 8.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.527 0.68 . . . . 0.0 110.268 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -115.3 147.67 39.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.035 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.57 155.19 22.18 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.04 1.16 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.1 m -79.79 128.1 33.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.406 0.622 . . . . 0.0 111.56 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -147.89 155.92 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.498 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -71.96 122.3 20.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.065 0.46 . . . . 0.0 110.829 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -174.46 160.37 3.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.423 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.18 136.26 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.675 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.2 p -68.79 -34.65 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.465 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.4 p -127.64 161.61 28.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.676 0.274 . . . . 0.0 110.341 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.4 143.04 30.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.178 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -136.03 156.94 47.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.048 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -155.12 173.27 33.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.19 141.98 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 m -131.4 147.07 52.53 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.864 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -151.75 161.91 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.52 -176.65 48.14 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.419 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.58 156.11 46.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.586 0.231 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.68 27.12 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.524 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 74.9 mt -123.06 151.22 42.18 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.88 131.68 54.84 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -123.04 154.49 38.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.332 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 58.79 70.95 1.05 Allowed Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.047 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -86.54 34.8 0.46 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.748 1.632 . . . . 0.0 112.518 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.2 mtt -121.21 161.87 21.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 57.05 -171.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.419 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -86.82 11.96 12.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.17 130.85 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 118.228 0.467 . . . . 0.0 110.809 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.32 152.87 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.45 143.97 44.07 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.475 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -125.28 126.96 45.94 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -129.31 130.94 46.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.6 p -143.06 157.08 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 111.532 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.47 130.03 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.458 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.15 135.84 54.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.204 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -134.7 139.77 45.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.9 p -142.3 148.21 37.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.025 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -115.7 125.95 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.803 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 15.66 95.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -165.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 t 75.19 -10.36 1.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.32 134.17 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 118.589 0.631 . . . . 0.0 109.443 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -104.1 128.11 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.628 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.96 134.86 62.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 128.25 7.32 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -131.73 136.67 47.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -108.4 130.98 55.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 69.2 mt -119.89 128.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.99 141.54 36.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.769 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.1 -177.98 33.68 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.944 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.27 144.97 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.23 169.24 26.38 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.468 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.01 143.23 42.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -115.57 138.77 50.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.408 . . . . 0.0 110.655 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.574 179.535 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m -122.3 139.88 53.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.305 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -132.23 145.92 51.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.344 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.9 m -124.93 133.13 53.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.1 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.8 130.26 74.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 p -131.41 161.1 33.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 110.275 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.29 150.82 22.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 170.05 32.73 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.394 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.73 144.19 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.13 146.05 40.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.914 0.388 . . . . 0.0 111.435 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -121.1 140.06 52.48 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -122.53 137.99 54.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.185 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -112.78 138.97 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.03 108.8 12.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.276 0.56 . . . . 0.0 110.733 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -72.8 122.15 21.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.314 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.28 -14.33 61.11 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.602 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -116.27 156.48 26.54 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 117.718 0.759 . . . . 0.0 109.35 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -85.01 165.44 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.285 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 47.61 -174.95 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.06 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -129.45 162.22 28.61 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.607 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.0 mtm -121.37 164.01 17.76 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.446 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.88 142.66 14.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.04 168.08 31.25 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.989 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -128.7 154.99 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.72 138.86 48.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.446 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.07 136.0 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.602 0.564 . . . . 0.0 109.514 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -122.97 147.44 46.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.227 0.537 . . . . 0.0 111.877 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -127.49 137.72 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.437 172.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -136.22 140.17 43.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -125.05 136.3 53.55 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.95 148.18 49.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 111.143 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -98.42 145.5 26.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.3 -45.07 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.0 -13.14 16.43 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 m -147.18 73.6 11.98 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.89 134.66 22.05 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 120.966 1.111 . . . . 0.0 113.304 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 tp -126.13 135.18 51.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.708 -1.133 . . . . 0.0 107.978 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.87 117.24 5.32 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.79 130.68 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.66 130.95 72.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.86 129.93 7.23 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.4 m -127.66 137.11 52.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.01 0.433 . . . . 0.0 111.347 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.63 126.45 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -122.38 137.2 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.761 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -125.65 125.55 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.604 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -120.68 140.62 51.35 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.751 0.657 . . . . 0.0 109.866 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -141.2 149.75 41.82 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.224 0.328 . . . . 0.0 110.536 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -136.3 129.91 32.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -120.02 138.82 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.422 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -137.12 145.07 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.169 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -125.78 141.85 51.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.935 0.397 . . . . 0.0 110.307 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.21 155.41 46.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.186 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -57.7 -40.74 80.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.439 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.6 p -66.59 -30.75 71.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.684 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.49 0.42 58.03 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 121.292 -0.48 . . . . 0.0 113.347 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -85.63 118.12 24.94 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.07 0.935 . . . . 0.0 110.583 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.86 152.07 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.37 116.58 32.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -93.06 122.72 35.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -127.98 138.59 52.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -129.82 143.78 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.299 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -129.57 138.55 51.36 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.314 0.383 . . . . 0.0 111.06 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -127.72 138.2 52.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.01 136.56 8.51 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.775 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.7 tp -116.46 129.76 72.38 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.7 p -129.67 158.95 37.93 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.19 149.7 26.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.863 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.35 159.57 28.69 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 119.489 -1.339 . . . . 0.0 114.572 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.41 163.45 34.41 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.762 2.308 . . . . 0.0 113.641 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.27 155.04 50.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -122.14 130.22 53.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.519 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.85 130.01 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.41 117.12 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 m120 52.67 32.45 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.744 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.4 t0 43.64 26.15 0.11 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -100.39 -57.28 2.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -136.71 156.72 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.202 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.3 t -124.01 144.03 50.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.5 mt -125.01 151.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.25 156.75 43.6 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.33 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.73 145.62 17.49 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.12 157.74 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 111.675 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.17 154.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.39 -176.88 37.32 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.374 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.38 138.76 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.31 139.48 11.08 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -128.11 147.0 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 110.456 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.4 144.35 15.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -131.28 141.08 49.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.396 -0.402 . . . . 0.0 109.979 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.289 0.368 . . . . 0.0 110.578 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -91.54 121.54 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.408 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.3 t -145.08 171.02 15.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.479 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 77.4 p -98.93 125.93 44.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -149.15 149.54 31.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 -173.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -80.51 147.33 63.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.51 134.48 64.19 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.716 0.944 . . . . 0.0 112.137 -163.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.0 t -118.49 157.46 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.05 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -96.65 126.96 42.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -76.96 142.75 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.231 0.538 . . . . 0.0 112.035 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -167.54 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.01 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -145.39 33.41 1.07 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.213 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -66.29 -37.59 85.79 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.45 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.1 p -78.34 160.26 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.765 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.26 142.05 34.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -135.99 159.65 41.03 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.094 0.473 . . . . 0.0 111.81 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.99 175.5 30.7 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.16 142.46 45.75 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.1 p -134.15 151.12 51.2 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.914 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -156.16 160.13 39.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 -176.81 48.21 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.436 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.78 159.05 43.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 110.715 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.32 162.42 28.42 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.14 145.94 47.7 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -115.39 133.69 55.8 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.388 0.43 . . . . 0.0 110.568 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -122.91 147.85 46.12 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.62 85.53 38.65 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.514 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.01 -70.79 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.379 1.386 . . . . 0.0 112.479 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.2 mmm -79.33 -72.62 0.38 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.782 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -175.14 -68.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.672 0.273 . . . . 0.0 110.708 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -86.11 3.55 42.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.63 133.89 64.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.08 153.7 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.816 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 tt -127.83 140.09 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -131.04 137.97 49.41 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.487 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -123.41 135.76 54.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.226 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.1 t -143.05 142.63 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.173 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -109.18 120.62 43.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.738 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.52 138.16 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.694 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -127.58 146.5 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.791 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.6 m -135.46 148.05 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.037 -176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -117.84 120.86 39.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.388 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.38 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 15.6 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.905 1.282 . . . . 0.0 114.417 -165.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 m 75.33 -10.87 1.17 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 170.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -102.48 131.87 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 118.627 0.648 . . . . 0.0 109.534 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.12 124.68 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.774 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.8 t -119.45 133.08 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 126.47 6.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.5 m -128.65 138.5 52.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 111.063 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.52 137.9 44.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.91 125.45 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.38 132.9 30.33 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.13 -177.95 36.51 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.96 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 158.34 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 156.78 25.68 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.808 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -127.72 143.18 51.16 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -101.88 137.61 39.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.603 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.377 179.423 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m -122.72 140.15 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.317 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -126.33 144.1 50.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.117 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.9 m -126.35 133.14 51.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.417 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.35 129.19 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 p -136.33 163.12 31.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.161 0.505 . . . . 0.0 110.964 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.35 150.83 22.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.29 170.02 33.86 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.759 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -128.69 144.2 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.405 -0.397 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.23 147.64 42.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.99 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -117.07 140.16 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 m -120.03 137.59 54.01 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.098 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -103.04 124.84 49.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.53 107.77 18.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 110.249 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.91 121.96 28.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.461 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.35 61.74 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.652 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -116.29 169.25 9.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.827 0.814 . . . . 0.0 110.107 173.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.7 ttm -102.06 146.74 27.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 69.61 145.36 0.05 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.923 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.11 162.12 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.234 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -122.41 161.43 23.5 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.06 141.23 12.14 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.92 168.0 29.39 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.596 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -128.57 150.92 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -132.21 144.21 50.48 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.167 0.292 . . . . 0.0 110.975 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.57 137.06 54.43 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -129.13 144.23 51.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.207 0.527 . . . . 0.0 111.734 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -121.99 139.07 54.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.99 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -129.99 140.26 50.92 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.514 0.509 . . . . 0.0 111.557 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -129.47 138.57 51.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.462 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -133.08 148.09 52.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -97.32 146.49 25.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.531 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -103.42 -13.25 16.71 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -147.08 74.4 11.94 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.5 134.55 26.66 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.808 1.005 . . . . 0.0 113.032 -170.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.16 135.24 51.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.038 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.87 116.81 5.22 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -175.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.64 130.91 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.7 mt -123.93 130.81 73.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.74 129.82 7.63 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 t -128.12 137.05 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.945 0.402 . . . . 0.0 111.567 -173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -113.23 123.58 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -122.49 140.67 52.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.718 0.294 . . . . 0.0 111.265 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -129.24 130.38 46.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.504 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 m -130.78 142.04 50.38 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.224 0.327 . . . . 0.0 110.782 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -135.4 147.69 49.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.885 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -88.63 136.78 32.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 110.388 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.4 p -88.03 150.13 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.742 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -93.06 146.29 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.6 m -102.16 138.44 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.95 149.24 41.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 p 50.92 97.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.603 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -174.47 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.11 66.57 Favored Glycine 0 CA--C 1.535 1.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 113.33 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.52 118.48 31.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 117.964 0.882 . . . . 0.0 110.208 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -123.17 139.35 54.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 111.022 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -178.94 115.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -96.34 129.6 43.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 111.233 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -123.73 128.71 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.834 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -136.19 146.19 46.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.532 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -155.98 160.9 40.46 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.754 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.98 154.52 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.562 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.29 137.33 8.89 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.943 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 tt -116.13 126.65 73.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -131.28 161.97 31.11 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.148 0.499 . . . . 0.0 111.472 -176.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.05 147.41 29.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.391 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.68 136.37 5.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.711 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.31 163.06 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 CA-C-N 120.039 1.919 . . . . 0.0 111.519 168.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.89 147.81 32.17 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.926 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -122.31 130.19 52.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -101.29 109.84 21.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.8 tt -137.89 146.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.59 108.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.075 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 56.81 44.64 23.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.561 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.7 m95 47.55 23.68 0.42 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.15 140.43 29.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -124.03 146.5 48.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.969 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.94 151.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -146.05 159.03 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.201 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.36 150.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.92 0.39 . . . . 0.0 111.415 -173.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.54 153.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.58 -177.5 38.52 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.05 137.36 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.15 134.8 10.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 133.25 55.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.01 160.1 26.66 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.746 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -134.57 141.08 46.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.429 -0.386 . . . . 0.0 110.568 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -108.94 141.58 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.703 0.627 . . . . 0.0 110.032 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -102.45 119.98 39.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.125 0.488 . . . . 0.0 111.412 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.1 p -136.12 168.72 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.323 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 m -99.0 125.5 44.48 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.378 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 173.91 149.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -80.94 114.39 48.16 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.59 134.71 18.92 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.043 1.162 . . . . 0.0 113.474 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.2 m -118.49 120.63 38.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 164.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -161.39 162.03 30.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.127 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -109.87 121.93 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 61.82 120.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.742 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -56.49 134.09 53.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.87 0.366 . . . . 0.0 110.818 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.0 m -132.36 152.42 51.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.955 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.8 p -130.29 169.1 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -95.79 142.27 28.27 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -126.92 151.02 49.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 111.926 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.34 170.43 25.49 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -113.11 141.19 47.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.587 0.194 . . . . 0.0 110.602 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.2 m -132.34 145.77 51.5 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.791 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -153.27 161.03 42.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.691 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.74 -176.18 47.86 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.413 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.49 156.79 45.19 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.71 163.78 29.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.417 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.93 149.06 50.95 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -112.5 138.15 49.68 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.53 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.08 156.39 36.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.475 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.2 m120 66.73 72.64 0.41 Allowed Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.856 0.722 . . . . 0.0 110.505 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.32 -51.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.772 1.648 . . . . 0.0 112.436 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.7 ttm -56.3 -39.25 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.868 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.8 162.92 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.229 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -80.81 2.52 25.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.47 151.37 33.36 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.48 150.58 48.77 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.704 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.8 mt -118.34 144.28 45.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.725 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -127.87 129.79 47.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.571 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -126.55 130.45 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.594 0.559 . . . . 0.0 109.559 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -143.02 157.09 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 111.187 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -112.94 126.27 55.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.446 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.92 137.71 54.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.096 0.474 . . . . 0.0 111.362 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -128.47 142.65 51.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.169 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.0 t -138.08 144.34 40.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.253 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -117.31 118.09 31.31 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.45 94.91 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 16.68 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -165.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t 73.57 -8.33 1.39 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.27 132.66 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 118.608 0.64 . . . . 0.0 109.536 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -103.96 122.17 44.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.492 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.95 126.15 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 120.28 4.4 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 t -134.05 143.95 48.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.369 0.585 . . . . 0.0 111.864 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -113.01 132.82 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.243 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.6 tt -126.0 138.77 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.948 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -135.32 141.9 45.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.569 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.89 175.85 29.69 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.121 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.59 149.84 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.51 26.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -132.23 143.11 49.7 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -94.97 140.71 29.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.343 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.2 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.595 178.411 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p -123.78 141.16 52.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -134.2 153.04 52.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -131.2 133.41 45.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.52 135.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -141.04 160.87 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 111.365 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.21 150.86 21.52 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 109.173 -1.571 . . . . 0.0 109.173 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 170.06 32.29 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.146 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -122.52 144.3 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.808 -0.696 . . . . 0.0 109.698 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.32 150.91 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -114.24 140.05 48.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -112.04 125.53 54.18 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.612 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -101.56 125.59 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.92 107.91 17.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.569 . . . . 0.0 110.409 -175.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -86.89 121.82 29.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.664 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.48 65.15 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.656 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -116.3 153.05 32.63 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.666 0.733 . . . . 0.0 109.433 172.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 94.8 mmm -89.83 158.6 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 65.62 125.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -84.12 162.14 20.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.604 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.0 mtt -125.01 159.35 31.51 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.059 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.41 139.03 11.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.15 168.14 31.32 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.999 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -132.53 157.17 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -144.1 150.16 37.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.133 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.98 135.79 52.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -119.78 138.29 53.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 0.0 111.194 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.97 138.0 54.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.873 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -127.05 140.09 52.54 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.254 0.346 . . . . 0.0 111.213 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.14 136.27 55.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.36 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.86 146.29 50.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.77 0.319 . . . . 0.0 111.231 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.88 140.02 31.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.214 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.5 -45.27 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -104.08 -13.29 16.32 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -147.25 72.94 12.01 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.02 134.49 19.68 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 120.824 1.016 . . . . 0.0 113.388 -169.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.2 mt -126.32 135.15 51.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.86 116.76 5.2 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -126.06 130.63 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.0 pt -126.19 141.49 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.96 129.89 8.33 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -128.28 137.03 51.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 110.889 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -122.03 130.2 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 172.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.2 m -123.18 137.35 54.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -125.17 126.95 46.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.485 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -127.27 150.16 49.68 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.267 0.355 . . . . 0.0 110.212 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -156.21 152.28 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.904 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -143.01 131.48 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -113.06 136.81 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.018 0.437 . . . . 0.0 110.941 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -137.47 141.31 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -132.05 147.98 52.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.933 0.397 . . . . 0.0 110.988 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.03 158.08 40.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.347 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -58.26 -33.2 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.29 -33.89 68.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.553 0.215 . . . . 0.0 111.412 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.16 4.64 53.64 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.439 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.21 118.25 24.03 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.992 0.896 . . . . 0.0 110.287 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -111.41 132.03 54.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.683 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -108.7 134.5 51.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -100.51 126.35 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -122.12 122.95 40.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.828 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.53 143.8 43.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.709 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -147.82 133.16 18.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -132.34 135.36 46.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.97 137.28 9.01 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.846 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -116.02 129.9 71.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -132.09 160.31 36.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.177 0.513 . . . . 0.0 111.468 -176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.15 147.83 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.944 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.03 139.09 6.84 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.156 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.43 163.19 34.84 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 CA-C-N 119.892 1.846 . . . . 0.0 111.852 167.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.82 152.51 51.15 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.2 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -122.14 128.78 51.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.528 0.204 . . . . 0.0 110.673 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.24 126.02 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.98 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.7 tt -150.14 51.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.13 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.08 173.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -62.19 -38.69 90.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.977 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -145.89 176.29 9.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.188 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.81 103.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.311 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t -115.94 151.05 36.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.529 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.8 tt -124.96 151.65 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.711 -0.396 . . . . 0.0 109.943 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -147.65 159.08 44.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.044 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.65 17.62 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.22 152.15 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 111.343 -172.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.67 153.74 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.85 -177.92 38.97 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 119.871 -1.157 . . . . 0.0 112.187 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.03 142.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.99 155.0 21.41 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.567 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -117.51 135.13 54.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.59 150.17 20.02 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.756 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -138.31 132.14 31.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -138.81 156.11 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.312 0.383 . . . . 0.0 110.762 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -100.49 123.47 44.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.155 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 m -135.53 165.18 26.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.792 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.6 m -98.77 125.74 44.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -159.73 149.42 18.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.165 -174.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -80.38 127.96 74.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -55.92 134.32 63.36 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 120.581 0.854 . . . . 0.0 113.405 -160.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -118.53 155.54 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.002 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -97.03 121.69 39.2 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.69 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -114.35 142.33 46.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.27 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -58.05 -45.25 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -103.31 133.89 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.975 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.5 m -66.94 -38.07 85.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.362 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.7 p -115.75 163.01 16.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.12 -175.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -95.93 136.83 35.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.238 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.83 142.38 37.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.737 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -133.0 154.76 21.31 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -113.03 136.88 52.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -133.95 148.15 51.14 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.541 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -149.71 152.44 35.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.063 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -175.56 -176.01 43.46 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.721 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.45 158.43 43.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.75 158.43 27.67 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.771 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 73.8 mt -130.54 146.25 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -121.23 140.32 52.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.542 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -127.38 144.22 51.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.399 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -127.84 83.93 64.73 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.681 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.62 -165.86 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.396 1.398 . . . . 0.0 111.73 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.1 mtp -54.9 -35.16 63.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.275 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.51 152.11 9.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.761 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -80.92 12.13 3.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.85 157.01 35.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 O-C-N 122.158 -0.339 . . . . 0.0 110.189 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.26 37.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.366 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.52 141.53 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.05 135.1 46.24 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.359 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.63 145.02 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -143.08 155.14 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 111.152 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -111.73 119.47 38.76 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -122.55 138.01 54.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.06 0.457 . . . . 0.0 111.405 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -127.57 140.82 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.5 m -135.99 147.89 48.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -117.65 123.38 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.666 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.7 mt -127.41 94.86 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 14.87 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -164.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.9 m 75.17 -10.86 1.16 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.74 134.97 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 CA-C-N 118.499 0.59 . . . . 0.0 109.577 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.36 124.08 47.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.651 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.15 132.83 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 128.66 7.49 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.49 134.26 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.021 0.438 . . . . 0.0 111.218 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -110.61 128.22 55.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.301 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -119.79 130.55 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.699 0.285 . . . . 0.0 110.588 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.82 33.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.861 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.93 -179.69 33.95 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.174 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.63 146.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.91 167.02 25.78 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.833 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -130.35 143.09 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -105.1 140.75 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.598 179.138 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.5 p -122.47 141.21 51.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -122.91 147.42 46.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.055 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 m -127.92 133.2 49.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.466 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.47 130.25 72.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -141.0 157.01 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.465 . . . . 0.0 111.212 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 150.9 22.54 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.82 170.03 31.87 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.216 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -121.08 142.24 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.505 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 148.09 42.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.894 0.378 . . . . 0.0 111.543 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.52 140.18 49.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.187 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -119.18 137.83 53.35 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.902 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -117.08 139.01 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.17 114.73 16.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.909 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -76.41 121.94 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.515 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.13 -14.37 64.61 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.768 -175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -116.37 148.86 40.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.739 0.769 . . . . 0.0 109.483 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mtp -97.92 167.03 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 111.067 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.7 t30 70.53 120.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.917 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.07 153.61 42.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.899 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.1 156.3 35.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.516 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.47 141.99 13.11 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.07 168.06 31.26 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.252 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -120.85 148.89 43.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.125 -0.537 . . . . 0.0 109.675 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -128.95 138.64 52.1 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.013 0.196 . . . . 0.0 110.59 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.9 tp -127.2 135.92 51.33 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.38 143.32 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -173.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.05 137.12 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.518 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -132.63 140.1 48.04 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.832 0.349 . . . . 0.0 111.32 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -128.7 137.93 51.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.78 148.08 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 111.145 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -96.29 141.44 29.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.406 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.01 -45.11 86.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -103.56 -13.22 16.64 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -147.1 73.5 12.08 Favored Pre-proline 0 C--O 1.234 0.286 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.67 134.56 24.3 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 120.914 1.076 . . . . 0.0 113.226 -169.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -126.17 135.07 51.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 171.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.99 116.83 5.23 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -174.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.97 130.68 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.8 mt -128.78 130.94 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.653 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.08 129.59 8.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -128.22 137.25 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.537 0.198 . . . . 0.0 110.807 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.41 131.23 54.7 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.6 m -114.18 134.73 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -118.13 120.95 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.828 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.444 0.465 . . . . 0.0 110.706 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -137.18 149.2 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.071 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.88 138.07 31.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.069 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -108.47 133.31 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -136.02 154.57 51.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.444 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.6 p -75.77 148.06 38.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.86 134.26 46.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.916 0.388 . . . . 0.0 110.835 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -163.05 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.164 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.6 m -60.59 -34.68 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.07 -7.05 54.39 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 121.332 -0.461 . . . . 0.0 113.183 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.16 121.54 28.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.046 0.923 . . . . 0.0 110.231 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -111.4 135.4 52.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -105.46 123.61 48.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.015 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.9 114.38 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -128.06 129.9 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.848 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -143.96 143.93 31.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.398 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -137.59 133.07 33.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.23 137.35 52.87 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.12 137.2 8.22 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.657 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.9 pt -115.98 136.98 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.822 0.311 . . . . 0.0 110.2 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.5 p -133.8 161.06 35.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 111.281 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.84 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.326 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.53 142.27 9.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.774 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.39 163.09 35.12 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 CA-C-N 119.749 1.774 . . . . 0.0 111.503 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.62 144.68 37.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.498 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.15 130.08 52.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -114.1 108.92 17.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 tp -131.12 132.97 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.641 0.258 . . . . 0.0 110.729 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 59.97 -84.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.554 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -67.43 145.22 55.23 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.855 0.36 . . . . 0.0 110.775 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -55.39 -36.51 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 146.63 34.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.853 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p -123.01 151.2 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.846 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.99 151.96 31.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.12 159.05 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.28 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.39 145.62 17.63 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.3 151.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.725 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.7 t -126.58 153.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 170.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.41 175.32 39.68 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.247 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.07 139.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.19 155.08 21.49 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.49 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -128.08 146.94 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.54 148.77 19.5 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -129.59 140.76 51.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.814 -0.693 . . . . 0.0 109.752 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -143.94 156.04 44.28 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.351 0.407 . . . . 0.0 110.363 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -107.14 119.92 40.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 m -145.11 156.39 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.879 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 m -98.86 125.56 44.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.99 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 174.01 149.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -80.7 114.63 49.56 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.4 134.75 19.35 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.052 1.168 . . . . 0.0 113.638 -171.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.6 m -118.29 120.77 38.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 167.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -161.2 152.95 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.435 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -114.25 121.9 45.11 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.633 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.7 p80 41.38 29.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -145.37 89.9 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.356 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.4 p -87.43 -19.09 28.53 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m -117.91 156.93 27.6 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.201 -0.312 . . . . 0.0 110.607 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -95.97 121.08 37.34 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.24 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -116.59 147.23 42.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 158.75 26.98 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.15 143.95 43.5 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -134.11 145.42 49.31 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.575 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -140.68 147.9 39.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.89 178.88 43.91 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.892 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.39 159.08 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.15 175.49 36.08 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.569 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 152.96 46.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.93 123.36 40.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.024 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -133.24 159.01 41.45 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.008 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -149.44 152.97 36.52 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.595 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -91.43 53.04 0.82 Allowed 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 121.865 1.71 . . . . 0.0 111.841 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 64.6 mtt 57.83 36.2 26.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.226 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -122.03 173.67 7.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.237 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -80.94 5.48 16.13 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.9 t -121.43 135.6 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -127.18 155.39 43.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.446 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.62 140.14 49.06 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -122.29 127.02 49.35 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -125.87 135.89 52.45 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.511 0.507 . . . . 0.0 109.769 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.1 m -142.92 151.38 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -114.71 126.31 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -125.3 138.06 54.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.186 0.517 . . . . 0.0 111.466 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -130.36 135.74 48.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.8 t -140.53 148.03 40.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 0.0 111.206 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -114.48 124.57 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.677 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.5 tt -127.47 94.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 17.14 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -164.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.0 p 76.92 -13.46 0.94 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.19 131.18 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.499 0.591 . . . . 0.0 109.685 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.01 121.55 43.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.367 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.13 137.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.06 9.93 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 29.1 m -121.5 133.54 55.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.066 0.46 . . . . 0.0 111.262 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -108.54 121.93 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.99 137.08 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.204 0.525 . . . . 0.0 111.061 -174.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.06 139.8 35.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.612 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.19 175.92 29.05 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.103 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.97 144.95 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.83 162.43 26.67 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.702 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -136.35 143.26 43.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.449 -0.375 . . . . 0.0 110.113 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -105.43 139.32 40.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.418 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.635 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -122.27 141.16 51.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -127.95 142.35 51.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.424 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.0 m -127.3 133.14 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.298 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.5 t -119.91 131.28 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -135.4 146.28 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.269 0.355 . . . . 0.0 110.965 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.81 22.61 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.11 170.21 36.16 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.071 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -124.55 144.12 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.15 44.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.297 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.6 140.12 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.533 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -122.73 146.29 47.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.269 . . . . 0.0 110.846 -175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -126.69 138.93 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.422 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.18 107.88 19.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.397 0.618 . . . . 0.0 110.018 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.13 121.89 20.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.807 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.98 -14.64 64.34 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.637 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -116.61 155.36 28.88 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.76 0.78 . . . . 0.0 110.11 169.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.04 97.77 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.301 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -176.06 164.83 2.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -135.07 150.85 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.439 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.1 mtp -132.64 152.59 51.62 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.451 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.33 134.33 7.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.45 168.05 28.52 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.825 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -129.06 150.69 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -131.73 137.81 48.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.07 135.99 54.64 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -138.96 153.11 48.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.48 0.657 . . . . 0.0 112.679 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -125.29 139.18 53.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.331 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -129.5 140.1 51.36 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.478 0.486 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.11 142.13 50.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -127.8 148.11 50.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -84.76 142.3 29.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.31 -45.14 77.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.0 -13.34 16.35 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -147.25 72.91 12.02 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.75 134.36 29.97 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.937 1.092 . . . . 0.0 113.118 -169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -126.21 135.1 51.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 168.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.9 116.66 5.18 Favored Glycine 0 C--N 1.333 0.407 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.55 130.67 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.7 pt -128.25 142.23 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.738 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.33 129.92 7.76 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m -128.05 137.32 52.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.797 0.298 . . . . 0.0 111.158 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -111.57 124.28 51.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.2 m -112.26 131.25 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.64 128.43 45.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -140.0 156.87 46.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.97 157.55 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -133.46 134.78 43.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.2 t -114.09 137.73 51.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -136.07 143.16 44.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.4 m -121.58 136.89 54.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.06 153.74 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 t -58.07 -38.61 76.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 m -57.97 -36.03 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.214 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.03 20.34 46.81 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.289 -0.482 . . . . 0.0 112.75 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.97 141.71 47.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 117.654 0.727 . . . . 0.0 110.22 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -114.08 134.05 55.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.672 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -139.33 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.339 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -131.09 126.99 37.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -126.01 135.27 51.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -129.8 143.9 51.04 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -140.05 133.51 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -135.99 157.01 47.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.26 137.21 7.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.06 126.02 73.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.6 p -132.51 162.64 30.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.41 148.42 33.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.595 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.38 135.0 4.89 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.403 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.44 163.27 34.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.983 1.891 . . . . 0.0 111.673 165.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.26 151.5 50.63 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.826 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.1 130.02 52.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.543 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -114.19 132.35 56.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.018 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.4 mt -121.22 116.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.566 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 51.54 31.26 7.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.128 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.66 37.67 13.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.018 0.437 . . . . 0.0 111.801 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -103.27 -62.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.323 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.31 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.757 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -123.64 147.22 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -125.06 151.59 30.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -131.85 146.06 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.955 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.84 145.46 17.42 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.63 152.05 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.985 0.421 . . . . 0.0 111.748 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.77 153.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.338 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.75 -171.99 38.03 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.952 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -128.69 148.16 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.36 141.9 13.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.96 132.09 49.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.42 143.63 15.37 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -140.27 141.01 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.414 0.149 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -132.68 156.12 47.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.383 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -113.97 132.86 55.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.076 0.465 . . . . 0.0 111.325 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.9 p -136.89 173.04 12.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.861 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -98.71 125.74 44.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 175.83 149.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.437 -170.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -80.47 138.27 51.58 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.49 134.51 38.75 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 120.815 1.01 . . . . 0.0 113.52 -163.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -118.37 146.44 44.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.914 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -100.42 121.72 42.0 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.281 0.562 . . . . 0.0 110.626 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.49 156.04 25.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.829 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -52.52 -37.18 57.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.593 0.235 . . . . 0.0 111.372 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -149.53 82.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -61.34 -42.9 99.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m -69.98 159.24 34.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.963 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -95.93 131.01 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.293 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -126.98 136.96 52.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.54 160.76 26.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -111.76 135.08 52.85 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.8 m -130.01 145.64 51.66 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.491 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -153.57 160.11 42.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.16 -176.85 48.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.761 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.35 159.13 44.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.9 166.89 30.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 mp -124.43 148.89 47.31 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -112.19 134.11 53.93 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 123.185 0.303 . . . . 0.0 110.44 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -123.0 136.79 54.99 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -123.57 87.56 52.16 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.034 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.37 -167.1 0.42 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.324 1.35 . . . . 0.0 111.926 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.3 mtt -55.96 -35.43 66.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.236 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.25 152.37 8.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.755 0.312 . . . . 0.0 110.778 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -80.8 11.99 3.53 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.69 157.03 30.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.9 148.91 38.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.293 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -110.5 141.63 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -127.25 127.01 43.71 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.264 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.78 130.29 53.3 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 t -143.06 147.73 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -111.73 123.38 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.597 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -113.82 138.07 50.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 111.073 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -122.53 134.75 54.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.499 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -130.51 132.07 45.42 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -119.28 126.38 51.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.42 118.36 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 169.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -47.07 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.945 0.778 . . . . 0.0 112.77 -159.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 24.3 p 149.93 -54.24 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 125.396 1.685 . . . . 0.0 109.387 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.4 t -109.29 136.0 46.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -170.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.18 117.96 35.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.16 134.14 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.64 0.257 . . . . 0.0 110.395 -175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 134.02 9.95 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 31.8 m -132.16 136.03 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.272 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -110.07 127.12 54.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.0 tt -129.43 139.57 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 111.108 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.1 142.81 36.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.671 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -154.75 -177.92 28.56 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.956 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -133.12 150.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.61 159.34 26.81 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.656 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -137.33 143.14 41.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -112.65 139.14 48.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.729 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.489 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.9 m -121.85 140.58 52.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -129.01 151.02 50.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 m -129.78 133.13 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.16 130.14 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.8 t -141.03 160.23 40.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.33 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 150.89 22.51 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.42 170.05 31.62 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.119 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -125.45 144.31 50.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.767 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.25 149.94 44.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.874 0.368 . . . . 0.0 111.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -111.32 140.05 46.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.263 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 t -117.48 137.11 52.75 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.103 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -130.09 138.82 50.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.02 121.38 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.382 0.611 . . . . 0.0 111.01 -171.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -77.17 123.35 26.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.911 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.1 -14.17 60.0 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 123.894 0.746 . . . . 0.0 112.577 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -116.13 151.75 35.02 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.741 0.771 . . . . 0.0 109.793 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -97.42 151.23 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.81 142.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.733 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -83.98 162.08 20.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.119 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.21 164.03 22.58 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.14 139.84 11.36 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.36 167.98 27.89 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.907 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -132.43 158.06 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -140.28 140.32 35.69 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.469 -177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -124.98 139.45 53.81 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -129.77 147.16 51.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.212 0.529 . . . . 0.0 111.845 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.96 139.08 54.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.7 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -130.59 139.6 50.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 111.242 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -131.99 141.48 49.29 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.29 148.2 44.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -92.81 140.2 29.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.69 -45.0 84.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -101.25 -13.25 18.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -147.17 72.94 12.09 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 134.48 19.7 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.858 1.039 . . . . 0.0 113.427 -169.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 135.18 51.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.492 -1.231 . . . . 0.0 107.765 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.72 116.7 5.17 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 -173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.17 130.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.0 131.06 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.408 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.75 129.89 8.65 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 p -128.14 137.13 51.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.991 0.396 . . . . 0.0 111.106 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -113.56 121.84 45.44 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -111.93 136.57 51.08 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.346 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.69 124.01 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -124.81 139.12 54.13 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.599 0.562 . . . . 0.0 110.123 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -157.68 154.06 27.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.239 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -137.15 126.83 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.7 t -109.28 131.89 54.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.954 0.406 . . . . 0.0 110.813 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -140.06 137.18 34.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.088 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 t -132.73 127.31 34.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.15 153.06 48.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.292 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 m -58.86 -38.82 79.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.804 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.3 t -147.18 150.23 34.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.434 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.06 21.07 56.37 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.787 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -58.44 147.19 32.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 117.542 0.671 . . . . 0.0 110.885 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -115.32 152.07 33.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.053 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.89 158.84 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -101.04 140.23 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.447 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -117.45 133.89 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.857 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -120.92 143.91 48.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -124.44 133.7 53.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.968 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -131.69 134.82 46.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.96 137.05 9.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.956 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 tt -116.34 127.24 74.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -140.02 159.23 42.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 111.271 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.9 39.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.413 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.32 140.67 8.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.725 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.36 163.23 34.94 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 CA-C-N 119.75 1.775 . . . . 0.0 111.5 168.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.27 150.6 52.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.731 0.301 . . . . 0.0 110.476 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.05 130.1 52.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -113.79 107.79 16.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.1 mt -103.04 -72.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.533 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -84.86 138.88 32.28 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -53.48 -39.48 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.352 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -75.59 -41.55 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.865 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.9 124.9 49.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.108 0.48 . . . . 0.0 112.254 -173.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 m -124.11 150.21 45.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.485 172.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -124.98 151.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -148.05 156.31 42.49 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.178 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.6 145.58 17.02 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.04 153.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 111.559 -170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.25 153.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.44 -172.04 37.16 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.834 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.5 146.58 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.44 14.32 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -119.92 140.39 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.64 128.14 8.17 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -119.76 141.04 49.81 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.833 0.373 . . . . 0.0 110.235 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.4 137.61 48.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.33 0.394 . . . . 0.0 109.961 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -98.51 119.9 38.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.992 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 t -145.09 165.85 27.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 p -98.93 125.83 44.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 178.6 149.27 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -80.54 142.06 53.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.07 134.46 52.93 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 120.825 1.017 . . . . 0.0 113.074 -166.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.1 m -118.5 157.02 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.294 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -97.39 121.55 39.42 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.813 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.33 154.31 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.939 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -57.68 -40.93 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.316 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -143.67 82.52 1.73 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.028 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.4 m -60.91 -39.56 89.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.317 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 m -118.93 154.0 33.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.781 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -96.06 144.82 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.064 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -136.03 154.17 51.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.116 0.484 . . . . 0.0 111.466 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -152.05 175.99 30.54 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -113.28 147.41 37.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.195 0.045 . . . . 0.0 111.026 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 96.4 p -134.06 148.77 51.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.011 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -149.84 153.79 37.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.333 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.78 -179.48 47.92 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.938 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.87 44.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.41 164.57 28.37 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.821 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -117.46 134.89 54.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.132 0.27 . . . . 0.0 110.547 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.82 136.69 54.95 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -127.73 85.7 60.11 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.673 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.71 -168.03 0.29 Allowed 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.315 1.343 . . . . 0.0 111.791 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.22 -36.73 68.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.861 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -56.47 154.74 8.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -80.82 12.06 3.49 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p -121.62 143.88 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.93 151.58 33.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 tt -115.47 135.28 54.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.022 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.58 129.42 53.76 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -131.07 130.05 42.73 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -143.09 155.34 44.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 111.804 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -109.44 131.19 55.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.485 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -127.08 138.06 53.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.45 141.36 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.3 t -143.91 148.07 34.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.411 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -111.35 122.86 48.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.43 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 44.0 mm -127.26 94.88 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 16.69 95.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -164.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 75.4 -12.18 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -104.2 133.0 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 118.553 0.615 . . . . 0.0 109.709 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -104.01 119.67 39.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.187 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.8 p -121.21 136.96 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 110.951 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.19 134.0 9.89 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -130.3 144.04 51.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.13 0.465 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -111.75 126.86 55.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -116.56 126.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.41 137.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.823 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.07 -177.94 34.61 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.908 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.75 150.94 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.68 169.0 26.68 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.051 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -134.58 143.18 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -108.84 143.27 38.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.0 110.91 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.482 179.476 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 m -124.27 140.41 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -120.91 146.29 46.78 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 m -129.74 133.23 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.394 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -122.85 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -139.72 166.3 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.256 0.551 . . . . 0.0 110.841 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 150.8 22.65 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.94 167.96 32.29 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -123.21 143.76 49.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.31 145.85 39.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -121.47 140.08 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.1 p -124.04 146.05 48.81 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.002 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -122.34 130.41 53.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.931 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.192 0.52 . . . . 0.0 110.25 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.14 121.88 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.472 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.58 -14.41 61.99 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.641 -173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -116.37 147.67 41.39 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 117.655 0.728 . . . . 0.0 109.322 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.88 160.07 17.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 66.61 142.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.925 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -92.21 162.12 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.337 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mtp -122.41 159.5 27.41 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.32 141.84 13.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.94 168.19 32.87 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.568 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.86 156.38 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -134.47 141.34 46.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.029 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.97 135.92 54.66 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -124.56 139.46 53.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.138 0.494 . . . . 0.0 111.411 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -122.03 139.12 54.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.608 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -128.15 140.04 52.15 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.927 0.394 . . . . 0.0 111.57 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.14 139.77 53.1 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.246 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -139.62 148.09 41.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.35 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -88.91 146.67 24.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.384 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.42 -45.01 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -101.25 -13.24 18.16 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 72.89 12.12 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.05 134.56 19.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 120.925 1.083 . . . . 0.0 113.422 -171.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -126.19 135.29 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 170.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.73 116.72 5.18 Favored Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.99 130.72 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -123.99 131.01 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.541 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.3 129.91 8.72 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -128.08 137.04 51.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.49 127.54 54.51 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.7 m -113.63 130.33 56.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.655 0.264 . . . . 0.0 110.368 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -123.12 120.85 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -130.35 146.6 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.425 . . . . 0.0 111.258 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -135.94 160.3 39.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.37 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.68 129.11 42.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.744 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -117.09 136.68 52.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 111.031 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -135.81 154.4 51.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.267 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -120.98 141.4 50.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.275 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.15 149.54 51.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -62.39 -37.35 85.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -61.43 -36.02 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.252 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.12 56.54 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.296 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -97.63 124.99 42.14 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.007 0.903 . . . . 0.0 110.365 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -139.69 152.18 46.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.092 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -110.64 145.65 37.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -102.49 135.46 44.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.917 0.389 . . . . 0.0 111.243 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -114.21 130.32 56.62 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.99 143.69 48.9 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.66 -174.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -130.9 137.04 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.652 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -122.98 136.89 55.03 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.39 134.49 7.63 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.612 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.25 125.86 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 p -131.65 160.12 36.34 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.069 0.461 . . . . 0.0 111.42 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.11 147.41 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.24 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.71 142.09 9.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.834 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.3 163.07 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 119.835 1.818 . . . . 0.0 111.566 168.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -141.55 143.18 33.62 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.626 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -122.25 130.17 52.92 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.449 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -94.82 124.01 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.417 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.3 tt -135.8 154.59 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.425 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 58.25 169.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -56.07 -39.1 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -149.75 92.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 177.6 112.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.345 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.2 p -123.02 151.06 42.25 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 tt -133.53 151.77 33.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.09 158.85 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.695 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.84 145.61 17.24 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.806 -1.317 . . . . 0.0 109.806 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.32 152.61 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.351 -173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.34 153.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.13 -177.88 39.1 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.992 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -125.98 138.81 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 138.16 12.12 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -122.34 137.84 54.72 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.67 140.55 12.95 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -132.64 133.87 44.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.61 134.05 51.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.677 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -100.21 120.87 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.597 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -143.88 164.28 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -98.86 125.92 44.38 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 179.96 149.32 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.791 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -80.56 142.13 53.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.23 134.53 39.53 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 120.822 1.015 . . . . 0.0 113.601 -165.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.7 m -118.38 157.13 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.742 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -96.84 121.64 38.92 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.366 0.603 . . . . 0.0 110.208 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -114.34 156.13 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -54.9 -38.54 67.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.782 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -131.95 167.39 19.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 t -121.94 -37.28 2.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.169 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -119.67 150.41 40.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.791 0.329 . . . . 0.0 110.5 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -98.89 145.1 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.83 154.35 51.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.049 0.452 . . . . 0.0 111.598 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.67 168.68 30.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.16 142.64 45.53 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.5 p -134.08 148.87 51.08 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.73 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -155.84 162.26 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.761 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.46 -178.81 47.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.68 158.39 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -156.2 174.41 34.06 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.836 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.29 147.04 50.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.328 . . . . 0.0 110.238 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -125.0 127.34 46.85 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.365 0.415 . . . . 0.0 110.088 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -133.24 158.92 41.68 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -141.14 142.37 27.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 119.316 -0.373 . . . . 0.0 110.369 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -95.74 -158.74 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.975 1.784 . . . . 0.0 111.052 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -55.61 -36.86 67.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.843 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.89 153.61 28.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.442 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -81.03 12.06 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.5 t -110.0 136.06 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 118.1 0.409 . . . . 0.0 110.097 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.02 155.61 26.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.354 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.77 146.02 47.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -133.25 138.84 46.64 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.581 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.31 142.87 39.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.831 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.9 m -143.12 157.0 44.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.72 122.95 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.71 137.99 52.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.205 0.526 . . . . 0.0 111.652 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -131.96 139.42 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.201 174.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -136.36 145.04 44.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.829 0.347 . . . . 0.0 110.784 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -116.97 121.01 40.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -127.42 94.76 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 14.74 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -164.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.6 m 73.14 -7.6 1.47 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.79 134.53 43.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.596 0.635 . . . . 0.0 109.35 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -104.08 120.98 42.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.36 133.13 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.14 129.12 7.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.67 134.27 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.081 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -107.69 131.14 54.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.34 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.94 139.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.06 137.19 29.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.612 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.54 179.24 32.53 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.877 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.93 156.43 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.24 157.97 26.7 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.668 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -131.94 143.05 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -109.16 141.22 41.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.574 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.548 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 m -122.46 140.98 52.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.317 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -129.42 144.22 51.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.2 p -128.32 133.27 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.347 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.36 127.92 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -134.27 148.89 50.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.87 22.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.38 170.02 34.45 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.0 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -126.49 144.29 50.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.969 -0.615 . . . . 0.0 109.998 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.01 144.79 39.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.045 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -116.8 140.09 49.83 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -120.19 139.73 52.2 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.065 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -110.9 139.08 46.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.185 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.07 107.89 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.377 0.608 . . . . 0.0 110.079 -176.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -84.16 121.9 28.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.973 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 -14.63 59.22 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.624 -174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -116.55 149.11 40.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 117.697 0.748 . . . . 0.0 109.59 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.14 97.79 9.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.251 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.64 158.01 1.0 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.083 0.468 . . . . 0.0 111.017 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -130.61 146.85 52.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.303 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -131.27 158.15 41.38 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.79 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.34 138.78 9.27 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.97 165.28 29.74 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.894 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.19 154.23 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -144.09 150.1 37.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.805 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.3 mt -123.81 136.55 54.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.437 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -120.37 139.35 52.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 111.225 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -121.9 139.09 54.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.769 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -132.46 140.12 48.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.426 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -119.64 141.92 48.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.371 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -132.54 145.27 51.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.346 . . . . 0.0 111.155 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -100.71 140.28 35.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.8 -45.17 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.17 -13.37 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -147.23 72.92 12.04 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.95 134.5 19.81 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 120.841 1.027 . . . . 0.0 113.349 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -126.13 135.16 51.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.89 116.84 5.23 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 119.863 -1.16 . . . . 0.0 110.281 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.96 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.5 mt -123.97 131.04 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.61 129.9 7.69 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -128.02 137.0 52.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.883 0.373 . . . . 0.0 111.364 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -112.56 123.28 49.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 m -118.38 136.31 53.82 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.089 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -120.07 122.9 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.105 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -126.93 143.7 51.21 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.101 0.25 . . . . 0.0 110.7 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -128.85 148.12 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.914 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -86.8 137.76 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.2 p -87.82 150.08 23.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.397 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -101.83 137.46 40.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.805 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -136.5 148.04 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.46 123.95 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.685 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -175.22 -67.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.417 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.7 p -64.21 -33.2 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.34 -6.95 61.66 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.288 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -105.65 166.39 10.49 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.057 0.928 . . . . 0.0 110.667 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -116.13 128.7 55.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.53 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -144.93 115.97 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.542 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -102.69 127.6 49.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.47 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -125.9 126.57 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -133.03 150.54 52.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.11 157.24 42.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.347 0.594 . . . . 0.0 112.212 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.21 140.64 52.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.597 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 136.08 9.1 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.605 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.29 126.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p -129.84 157.6 41.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.06 0.457 . . . . 0.0 111.159 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.21 144.97 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.33 149.51 19.82 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.713 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 163.28 34.46 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.123 1.882 . . . . 0.0 112.382 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.51 154.98 47.8 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.777 0.322 . . . . 0.0 110.412 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -122.03 130.16 53.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -113.47 132.1 55.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 tt -126.27 144.37 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.326 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -79.64 139.89 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.451 . . . . 0.0 111.425 -174.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.87 46.87 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.437 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -160.59 -80.66 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.167 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 177.76 178.85 0.31 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -123.98 149.15 46.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.952 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.5 pt -130.64 151.93 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -147.9 158.95 44.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.379 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.61 145.39 16.77 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.39 156.61 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.523 -171.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.0 t -137.26 153.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.2 -176.39 37.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.943 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.96 148.81 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.04 140.05 11.43 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -117.12 130.81 56.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.16 151.13 19.05 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -142.02 141.22 32.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.64 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -130.21 155.43 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.156 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -107.4 119.88 40.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.17 0.51 . . . . 0.0 111.518 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.0 t -145.16 165.61 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.574 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.0 m -98.95 125.4 44.38 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.785 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -165.22 149.4 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.278 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -80.79 114.86 51.61 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 169.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.34 134.53 19.15 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 CA-C-N 119.814 0.969 . . . . 0.0 113.964 -164.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.3 m -118.51 120.87 38.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.871 166.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -155.13 129.8 9.23 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.628 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -114.06 121.79 44.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.809 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 46.35 29.19 0.82 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -145.81 148.96 33.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.805 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.3 p -143.32 -30.59 0.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.032 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.4 p -131.0 168.69 16.95 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.725 0.297 . . . . 0.0 110.905 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.85 130.26 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.213 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -112.91 139.34 48.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.156 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.39 156.61 24.12 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -113.1 141.35 47.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.475 0.138 . . . . 0.0 110.634 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.2 m -134.07 149.83 51.16 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.229 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -154.0 159.39 41.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.79 47.68 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.571 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.9 159.61 41.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.69 158.25 27.61 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.734 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 mt -121.55 142.19 50.33 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -113.29 132.51 55.53 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.12 0.262 . . . . 0.0 110.377 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -122.92 139.61 53.87 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.221 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -128.68 83.05 67.34 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.622 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -75.15 -164.71 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.356 1.37 . . . . 0.0 111.704 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -54.88 -35.09 63.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.45 151.35 10.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.814 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -81.02 12.14 3.56 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.64 157.01 30.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.149 -0.344 . . . . 0.0 110.273 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.74 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.7 mt -113.9 141.39 47.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.97 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -123.33 126.97 47.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -121.64 129.38 52.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -142.93 144.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.466 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -112.44 120.28 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.468 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -124.91 138.11 54.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 111.405 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -126.41 148.66 49.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.548 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.2 p -140.75 148.2 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -116.04 125.34 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.902 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.44 94.93 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 16.38 95.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -165.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 m 75.43 -11.65 1.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.342 170.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -104.05 133.19 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 118.667 0.667 . . . . 0.0 109.358 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -104.05 127.79 51.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.626 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.24 131.01 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.13 128.7 7.48 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.9 t -134.1 144.07 48.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 111.405 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -107.98 134.03 51.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.517 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 69.2 mt -118.16 128.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.48 136.8 38.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.806 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.52 -179.4 31.49 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.007 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.94 149.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.01 26.45 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.057 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -123.33 143.06 50.34 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -111.91 135.88 51.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.301 . . . . 0.0 110.634 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.533 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 m -122.07 140.45 52.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -123.97 140.49 52.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.405 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.0 p -129.47 133.33 47.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.317 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.05 130.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 p -138.78 168.21 20.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.186 0.517 . . . . 0.0 110.977 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 150.7 22.48 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 169.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.56 169.47 33.92 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.844 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -124.51 144.35 50.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.975 -0.613 . . . . 0.0 110.319 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.1 147.37 41.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -125.71 140.11 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.463 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 m -122.38 140.01 53.18 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.854 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -122.47 139.05 54.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.24 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.11 108.0 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.325 0.583 . . . . 0.0 110.291 -175.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -80.5 121.88 26.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.04 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.35 -14.51 54.33 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.746 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -116.42 145.17 43.46 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.621 0.71 . . . . 0.0 109.612 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.4 mtp -87.14 98.02 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.997 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -171.4 137.09 1.06 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.223 0.535 . . . . 0.0 111.817 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -134.96 134.16 40.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.1 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.4 mtm -132.62 150.74 52.11 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.715 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.42 135.4 8.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.94 168.23 30.01 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.387 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.34 155.66 38.35 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -144.05 150.12 37.71 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.754 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.9 mt -123.84 145.98 48.7 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.25 135.88 51.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.46 . . . . 0.0 111.214 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -121.96 139.18 53.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.544 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -118.99 140.2 50.4 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.361 0.413 . . . . 0.0 111.405 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -126.51 137.19 53.34 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.165 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -131.03 148.15 52.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 111.68 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -96.55 145.32 25.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.424 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -45.12 66.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.19 -13.3 16.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -147.15 79.28 9.95 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 134.44 31.91 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 120.708 0.939 . . . . 0.0 113.013 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.26 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.009 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.73 116.76 5.19 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.88 131.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 109.922 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.92 137.14 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.049 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.49 129.9 7.91 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 t -128.13 136.98 51.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -116.48 126.1 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 m -121.14 135.63 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.52 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -126.72 125.75 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.5 p -125.32 148.88 48.54 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.424 . . . . 0.0 110.206 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -139.85 151.41 45.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.93 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -133.31 134.45 43.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 m -118.27 144.26 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -133.24 139.17 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.286 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -122.81 130.36 52.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.908 0.385 . . . . 0.0 110.451 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.11 154.78 47.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.212 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.3 p -59.65 -37.32 78.38 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.923 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.7 p -65.74 -32.95 74.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.491 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.87 0.5 62.11 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 121.254 -0.498 . . . . 0.0 113.413 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -86.34 118.84 26.03 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.083 0.941 . . . . 0.0 110.723 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.67 152.11 48.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -110.53 129.76 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.388 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.8 123.35 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.985 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -128.05 130.82 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.286 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -126.23 143.87 50.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.36 139.34 51.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -133.9 138.67 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.61 137.15 8.95 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.616 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.7 tt -116.24 131.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.6 p -131.51 159.22 38.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.053 0.454 . . . . 0.0 111.347 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.88 145.76 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.71 138.5 6.55 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.174 -1.013 . . . . 0.0 112.887 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.3 163.09 35.33 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 CA-C-N 119.973 1.886 . . . . 0.0 111.492 168.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.39 153.48 42.73 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.008 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -122.02 130.18 53.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.372 0.42 . . . . 0.0 110.675 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.84 139.92 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.742 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.26 124.87 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 54.44 39.53 31.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.057 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -153.52 166.04 33.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 157.78 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.093 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -113.35 151.15 31.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.654 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.0 mt -124.91 151.77 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -146.07 157.08 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.181 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.9 145.68 17.64 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.4 150.54 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.154 0.477 . . . . 0.0 111.649 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.5 153.9 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.89 -177.8 39.96 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.343 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.49 139.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.04 140.47 11.92 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -128.07 147.02 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.642 0.258 . . . . 0.0 110.473 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -120.21 137.61 12.37 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -129.34 140.92 51.22 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.753 0.326 . . . . 0.0 110.403 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -131.57 156.27 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.92 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -53.48 140.4 28.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.9 m -114.42 142.86 45.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 111.756 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 m -111.05 156.17 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.013 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -77.68 104.8 8.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.243 0.544 . . . . 0.0 110.668 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.18 147.57 38.79 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.981 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.68 155.19 22.7 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.171 1.247 . . . . 0.0 110.776 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.0 m -79.84 129.57 34.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.336 0.588 . . . . 0.0 111.761 -170.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -151.75 162.11 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.467 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -79.56 121.74 25.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.772 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 178.95 139.67 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.791 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.03 99.8 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -64.71 -43.43 93.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.619 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p -74.06 159.73 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -108.52 139.05 43.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -136.09 155.42 50.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.35 . . . . 0.0 111.329 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.54 166.37 31.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.12 142.93 45.19 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 m -128.38 143.69 51.04 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.216 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -140.89 149.13 41.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.625 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.28 179.3 45.71 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.211 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.46 153.17 39.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.7 168.13 28.06 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.16 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 140.43 52.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.22 131.81 54.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.587 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.15 153.33 51.63 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.797 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -129.17 88.79 50.11 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.99 -163.43 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.239 1.292 . . . . 0.0 111.429 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -54.01 -34.96 61.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.309 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -56.21 152.18 11.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.774 0.321 . . . . 0.0 110.653 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -80.88 12.01 3.56 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.11 157.04 34.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 O-C-N 122.067 -0.396 . . . . 0.0 110.314 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.37 37.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.991 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.62 140.53 49.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -122.55 127.56 49.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.386 0.429 . . . . 0.0 110.172 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.04 131.64 50.89 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.535 0.522 . . . . 0.0 109.648 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.0 t -143.16 153.34 42.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.042 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -109.93 122.07 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -116.97 136.51 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -127.91 139.1 52.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.9 m -131.85 146.3 52.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -114.27 122.8 47.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.639 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.9 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 13.32 95.25 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -164.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m 74.78 -9.66 1.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.8 t -104.03 135.63 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 118.514 0.597 . . . . 0.0 109.552 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -102.4 122.27 43.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.53 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.7 t -114.21 131.37 66.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 123.05 5.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.2 t -134.09 143.45 48.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -115.67 135.93 53.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.638 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.7 pt -116.33 137.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.41 134.42 29.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.456 173.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.72 173.84 32.36 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.249 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.0 t -129.41 145.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.93 158.14 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.785 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -133.6 143.05 48.4 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -125.62 144.45 50.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 0.0 111.319 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.462 178.643 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -133.28 141.13 47.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -124.35 141.68 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.374 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 m -129.39 133.09 47.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.06 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.13 133.34 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -139.69 154.8 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.781 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.71 150.87 22.0 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.78 170.04 31.85 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.134 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -119.92 144.13 47.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.583 . . . . 0.0 109.545 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.18 146.77 40.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.832 0.349 . . . . 0.0 111.252 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -121.21 140.15 52.42 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -118.54 137.76 53.0 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.814 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -111.51 139.04 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.334 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.85 107.97 19.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.238 0.542 . . . . 0.0 109.987 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -84.78 121.82 28.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.969 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.31 -14.71 60.27 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.68 -174.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -116.5 144.95 43.69 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 117.683 0.742 . . . . 0.0 109.472 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.1 mtt -94.09 97.78 10.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.323 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.46 155.37 0.86 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.018 0.437 . . . . 0.0 111.093 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -130.99 146.41 52.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.497 173.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.0 mtp -132.65 158.57 41.95 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.968 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.14 141.18 12.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.25 168.15 31.94 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.9 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -128.35 150.72 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -125.75 139.49 53.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.475 0.179 . . . . 0.0 111.391 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.0 mt -122.89 137.21 55.0 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -128.55 146.57 50.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 112.039 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -121.86 139.04 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.765 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -120.96 139.32 53.42 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.295 0.372 . . . . 0.0 110.913 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -129.55 141.72 50.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -140.07 145.96 38.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.707 0.289 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -97.74 141.57 30.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.184 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -68.48 -45.04 73.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -104.18 -13.41 16.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -147.29 74.28 11.76 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.12 134.52 19.54 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 120.927 1.085 . . . . 0.0 113.497 -170.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.13 135.22 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.77 116.61 5.15 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 119.7 -1.238 . . . . 0.0 110.125 -171.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.96 130.73 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -123.89 131.82 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.4 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.8 129.86 8.88 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -127.94 137.09 52.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.987 0.394 . . . . 0.0 111.296 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -112.29 127.88 56.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 m -113.82 129.64 56.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.38 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -118.72 120.97 39.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -127.14 146.24 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.177 0.298 . . . . 0.0 110.559 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -128.94 146.95 50.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.287 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -125.04 135.78 53.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.815 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.6 p -115.31 146.48 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -139.01 140.14 38.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.308 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -123.57 134.35 53.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.821 0.343 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.04 151.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -59.04 -37.75 77.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.011 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -57.47 -35.06 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.37 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 -5.63 54.89 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.344 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.6 142.58 56.41 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 118.083 0.942 . . . . 0.0 110.265 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -115.08 131.97 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.819 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -114.51 126.78 55.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.96 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -97.89 126.06 43.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.434 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -124.09 141.03 52.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -137.54 143.95 41.86 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.962 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -133.68 132.22 40.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -128.21 138.94 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.5 137.01 8.95 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.555 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.3 t -140.11 160.18 40.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.039 0.447 . . . . 0.0 111.753 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.78 151.71 37.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.328 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.4 135.61 5.29 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.035 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.38 163.22 34.89 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 CA-C-N 120.057 1.928 . . . . 0.0 111.992 167.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.0 153.96 22.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.677 0.275 . . . . 0.0 110.811 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -122.16 130.11 52.92 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -104.83 107.91 19.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 0.0 110.817 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.25 125.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 58.79 112.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.13 0.491 . . . . 0.0 110.065 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -51.35 -32.29 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.083 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -52.26 -36.8 53.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.82 151.18 40.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.264 0.554 . . . . 0.0 112.078 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -124.1 151.27 44.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.121 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.7 mt -124.84 151.7 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.818 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.06 147.92 50.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.91 145.38 17.37 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.49 154.1 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.597 -170.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.11 153.65 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 170.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.89 -178.59 39.45 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.865 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.35 140.69 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.44 148.96 18.86 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -128.07 144.24 51.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.28 135.76 10.12 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -130.56 141.19 50.47 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -120.3 156.16 31.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.149 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -54.61 136.83 44.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.2 m -127.46 148.39 50.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.171 0.51 . . . . 0.0 111.25 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.9 m -98.94 156.26 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.262 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -77.78 104.81 8.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.523 0.677 . . . . 0.0 110.304 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -115.29 147.61 38.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.97 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 155.26 21.31 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.049 1.166 . . . . 0.0 110.349 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 p -79.73 120.98 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.426 0.631 . . . . 0.0 111.516 -169.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -154.22 158.64 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.397 177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -84.01 121.95 28.1 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.491 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -177.06 -63.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.44 121.45 26.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.303 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.6 m -126.57 143.74 51.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.334 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.7 p -66.91 163.19 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.281 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -98.77 139.27 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.514 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -136.06 155.12 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.02 32.84 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.08 142.98 45.11 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.9 m -133.99 147.69 51.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.972 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -152.85 161.39 42.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.0 -177.14 47.71 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.563 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.8 43.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.589 0.233 . . . . 0.0 110.543 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.3 161.55 27.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.552 -178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 mp -125.3 152.91 44.05 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -109.89 139.23 45.2 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -128.34 156.92 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.785 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -115.51 84.53 12.27 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.671 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.26 -64.71 0.13 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.349 1.366 . . . . 0.0 112.242 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.0 mmm -95.55 -73.47 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.598 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -175.31 -65.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.887 0.375 . . . . 0.0 110.789 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -85.35 11.17 10.77 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.43 141.06 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-N 117.956 0.344 . . . . 0.0 110.179 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 140.95 48.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 tp -116.24 132.82 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.66 134.49 53.74 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.482 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -127.79 138.78 52.85 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.933 0.771 . . . . 0.0 109.536 174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 m -142.98 157.02 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.109 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -109.97 121.65 45.73 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -116.31 134.38 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.008 0.432 . . . . 0.0 111.306 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -130.09 141.26 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.288 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -137.96 146.34 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -118.85 123.21 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.797 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.6 mt -127.49 94.88 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 15.06 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -165.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t 74.45 -9.06 1.36 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.88 134.46 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.11 129.43 51.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.673 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.0 t -120.06 135.11 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 123.99 5.72 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.4 m -125.55 133.86 52.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.39 132.51 54.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.375 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 43.5 pt -121.99 141.51 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.278 0.561 . . . . 0.0 111.118 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 138.23 29.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.425 172.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.08 178.49 36.12 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.155 -1.022 . . . . 0.0 112.168 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.8 m -133.19 151.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.67 162.68 26.98 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.89 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -136.9 143.08 42.78 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -119.08 145.59 45.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.122 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.763 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.0 p -123.85 141.26 52.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.277 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -126.32 148.57 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.206 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -127.56 133.24 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.86 127.99 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -137.49 146.65 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.245 0.341 . . . . 0.0 110.483 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 150.86 21.44 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.17 170.1 33.8 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.747 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -124.4 144.23 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.164 -0.518 . . . . 0.0 109.698 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 144.38 38.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.28 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -118.53 140.04 50.51 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -119.76 138.56 53.25 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.993 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -103.49 139.02 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.68 107.93 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -86.25 121.86 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.573 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.51 59.48 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.726 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -116.48 145.33 43.38 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 117.611 0.705 . . . . 0.0 109.221 171.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -88.0 160.43 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 71.45 141.86 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.964 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -90.93 162.08 14.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.071 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -123.43 153.07 40.94 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.552 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.96 138.61 10.04 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.01 168.18 32.37 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.199 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.65 153.49 39.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -134.48 141.14 46.66 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.07 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.86 135.97 54.7 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.72 140.91 51.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.143 0.497 . . . . 0.0 111.968 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -127.63 139.16 52.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.705 175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.11 140.33 39.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.837 0.351 . . . . 0.0 111.764 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -122.99 141.95 51.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -122.13 145.88 47.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -96.49 139.89 31.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.375 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -66.93 -45.07 78.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -173.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.1 -13.33 16.3 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.03 134.39 36.79 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.765 0.977 . . . . 0.0 113.075 -169.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 tp -126.27 135.29 51.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.234 171.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.74 116.71 5.18 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.92 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.05 130.81 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.36 129.98 6.44 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -126.3 137.11 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.931 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -106.59 124.31 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.6 p -114.02 134.57 54.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -127.82 120.97 28.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.4 p -128.72 154.47 46.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.847 0.356 . . . . 0.0 110.329 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -130.66 155.16 47.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.942 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -101.99 138.02 39.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.401 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.0 t -94.36 140.07 30.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.382 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -140.05 157.13 46.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -110.3 141.3 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.172 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.52 139.19 32.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.853 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -169.55 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.192 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -62.69 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.039 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.01 -7.09 52.17 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 121.45 -0.405 . . . . 0.0 113.289 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.04 118.23 26.29 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.94 0.87 . . . . 0.0 110.099 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -113.39 134.96 54.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 110.759 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -143.21 161.81 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -131.08 125.37 33.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.394 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -114.26 131.81 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -124.44 143.91 50.37 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -132.16 127.47 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.22 0.325 . . . . 0.0 110.547 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -121.76 137.64 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.75 135.14 7.52 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.749 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.31 133.6 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -140.21 159.24 42.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.029 0.442 . . . . 0.0 111.467 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.69 150.59 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.482 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.86 156.7 28.27 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.247 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.36 163.37 34.67 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.656 2.237 . . . . 0.0 113.321 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.45 155.05 45.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.193 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.09 130.15 53.0 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -110.16 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mm -120.85 163.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -47.37 -32.81 5.22 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.41 138.99 47.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -51.38 -32.61 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.6 140.33 58.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -124.08 151.1 44.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.563 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -124.98 151.6 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -148.15 158.66 44.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.388 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.63 145.66 17.12 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.76 157.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.396 0.598 . . . . 0.0 111.723 -171.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.96 153.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.8 178.86 37.5 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.091 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.61 144.72 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.59 150.9 19.8 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.801 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -123.73 135.03 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.05 132.84 8.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -138.08 137.57 37.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -138.81 156.07 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -101.01 124.99 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.471 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -145.02 173.01 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -98.76 152.66 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -174.68 149.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.431 -0.507 . . . . 0.0 111.229 -171.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -80.53 147.56 63.84 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -55.27 134.75 65.64 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 120.732 0.955 . . . . 0.0 112.342 -162.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.0 m -118.27 157.33 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.633 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.61 153.81 17.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -71.89 137.6 47.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.314 0.578 . . . . 0.0 111.621 -170.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -166.54 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.814 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -151.37 81.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.9 t -70.76 -37.11 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.6 m -114.95 154.47 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.768 0.318 . . . . 0.0 110.638 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -95.99 136.12 36.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.386 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -116.89 140.27 49.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.561 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.61 156.12 24.55 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.469 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.13 144.18 43.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -130.54 144.56 51.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.685 0.279 . . . . 0.0 111.378 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -142.14 144.55 33.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.419 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.22 179.33 43.89 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.35 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.86 159.14 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.26 158.33 27.44 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.688 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.82 139.84 53.58 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -112.69 131.78 55.49 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.117 0.261 . . . . 0.0 110.308 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -122.88 137.41 54.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.588 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -142.54 84.46 11.07 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.395 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.92 79.54 3.35 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.468 1.445 . . . . 0.0 112.492 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 91.3 mmm 51.52 32.55 9.03 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.703 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -124.02 152.78 42.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.83 7.72 9.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -123.44 137.81 55.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.08 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.393 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.34 140.56 45.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -125.41 126.98 45.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.43 132.57 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -135.77 149.34 49.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.128 0.49 . . . . 0.0 111.61 -176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.89 118.85 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -118.99 134.69 55.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.029 0.443 . . . . 0.0 111.287 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.81 135.16 52.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -131.22 145.37 51.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -117.97 122.23 42.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.578 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.0 mt -127.41 94.77 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 15.11 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 74.75 -9.92 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 171.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.4 t -103.45 134.57 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 118.485 0.584 . . . . 0.0 109.663 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -103.95 127.65 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.779 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -121.02 133.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 124.49 5.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 32.2 m -123.22 137.29 54.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.051 0.453 . . . . 0.0 111.305 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -108.38 122.13 46.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.368 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 69.4 mt -116.2 128.69 73.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.47 138.74 34.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.096 174.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.71 -178.03 35.28 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.674 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.63 153.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.9 165.8 28.02 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.837 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -133.15 143.2 49.07 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -99.32 139.32 35.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.986 178.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.2 m -122.54 140.89 52.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -129.49 151.81 49.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.438 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.7 m -131.0 133.17 45.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.61 132.61 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -141.05 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.87 151.0 23.0 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.95 170.05 32.55 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.888 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -125.17 144.17 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.246 -0.477 . . . . 0.0 109.817 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.16 146.54 40.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.169 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -114.18 140.1 48.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.361 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 m -118.79 140.34 50.11 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.957 -174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -113.14 138.49 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.238 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.73 107.95 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.208 0.528 . . . . 0.0 110.222 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -82.97 121.83 27.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.922 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -14.58 60.89 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.73 -175.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -116.59 141.33 48.33 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.602 0.701 . . . . 0.0 109.431 170.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.3 mtm -91.59 97.81 11.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.35 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -177.6 152.97 0.84 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 111.37 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -124.82 143.68 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.9 mtm -132.41 158.65 41.45 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.219 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.0 136.39 7.51 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.72 168.03 29.27 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.601 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.56 153.51 40.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -131.55 138.67 49.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.197 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.9 135.87 54.66 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -134.23 139.17 45.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.047 0.451 . . . . 0.0 111.48 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.96 136.37 54.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.963 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -138.04 140.21 39.97 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 0.0 111.072 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -131.11 142.03 50.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.823 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -131.15 147.71 52.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -93.28 141.37 28.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.545 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.17 -45.14 77.87 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -103.85 -13.32 16.44 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 p -147.11 75.54 11.61 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.1 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 120.874 1.049 . . . . 0.0 113.418 -168.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.0 tp -126.26 135.1 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.03 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.95 116.82 5.23 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -175.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.89 130.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 pt -130.34 144.6 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.08 130.01 5.93 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -126.82 137.17 53.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -117.26 126.75 53.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -122.76 143.38 49.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.581 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -131.69 128.5 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.475 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.9 m -129.13 145.93 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.99 154.36 46.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.114 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -95.2 138.1 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.292 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.3 t -102.77 129.59 49.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.13 157.1 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -69.14 136.03 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.222 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 134.91 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.801 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 t -137.96 141.25 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.358 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -68.04 145.46 54.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.694 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.48 -7.04 20.5 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.44 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -123.07 111.52 16.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 118.125 0.962 . . . . 0.0 110.662 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -133.44 128.52 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.64 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -148.51 154.86 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -131.12 125.4 33.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -120.69 128.31 52.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.839 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -129.43 143.86 51.01 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.758 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -134.44 131.5 38.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.343 0.402 . . . . 0.0 110.415 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -128.98 143.52 50.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.86 137.2 8.28 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.668 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -116.14 127.56 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -130.76 160.54 34.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.044 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.55 157.79 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.571 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.01 163.02 30.36 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.469 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.37 163.32 34.74 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.758 2.305 . . . . 0.0 113.627 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.73 151.75 50.47 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.18 130.27 53.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.607 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -94.52 112.98 24.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.3 tt -128.89 140.01 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -55.11 -38.2 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.221 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.78 136.73 54.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.59 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 m95 61.08 -84.33 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.63 -98.34 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -124.25 150.93 44.77 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.995 0.816 . . . . 0.0 109.771 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.0 tt -132.15 151.71 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -145.82 153.24 40.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.064 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.06 145.7 17.53 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.06 157.63 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.065 0.459 . . . . 0.0 111.693 -174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.5 153.72 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.18 -176.05 37.08 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.944 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.78 143.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.03 154.56 21.22 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.307 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -125.87 145.48 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.7 140.23 11.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -128.47 132.89 48.4 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -118.83 139.27 51.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.265 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -97.85 119.86 37.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 110.801 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -145.2 167.24 23.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 t -98.93 125.82 44.45 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -154.96 149.33 26.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -80.48 136.9 51.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 171.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.63 134.34 63.39 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 119.75 0.946 . . . . 0.0 112.9 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.8 m -118.54 157.16 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.601 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -96.72 121.68 38.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -114.39 156.07 25.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.173 -176.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -57.99 -41.1 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.197 173.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -143.15 154.37 43.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.2 m -66.42 -39.86 89.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m -123.08 162.03 23.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.92 146.37 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -134.04 156.85 47.49 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 111.635 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -147.25 168.79 28.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.16 145.53 40.8 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 t -134.06 144.14 48.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.269 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -146.51 151.31 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.027 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.13 47.82 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.975 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.62 154.65 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.27 166.65 28.06 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.763 -176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 73.5 mt -130.4 155.05 47.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.81 141.36 52.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.719 0.295 . . . . 0.0 110.805 178.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.1 158.98 40.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.112 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 t30 70.28 66.12 0.44 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.677 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -90.13 -24.65 0.54 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.809 1.673 . . . . 0.0 113.055 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.3 mtp -56.4 -35.81 68.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.564 0.221 . . . . 0.0 111.329 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.77 174.09 7.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.299 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -80.97 3.09 24.13 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.02 133.73 68.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.89 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.436 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -112.3 142.06 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -131.13 139.71 49.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.449 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.33 144.61 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.91 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.6 t -143.19 152.58 41.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 111.049 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -105.8 114.91 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -114.19 138.07 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -133.2 140.84 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.755 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -133.57 147.43 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 111.011 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -117.08 120.09 37.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.555 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -127.46 94.83 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 16.49 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -165.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 p 73.35 -8.57 1.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.34 132.35 51.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.659 0.663 . . . . 0.0 109.335 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.94 122.43 45.18 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.632 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -113.82 132.76 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 125.74 6.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 39.1 m -128.76 133.85 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.257 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -109.84 128.78 55.55 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -126.25 137.12 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 111.132 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -138.65 144.69 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.714 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.89 -177.94 33.44 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.65 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.26 147.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.03 164.16 26.52 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.633 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -136.46 143.2 43.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -118.3 143.98 46.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 111.08 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.884 179.685 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p -122.62 141.14 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.378 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -127.64 141.97 51.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.0 m -128.53 133.16 48.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.138 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.26 134.45 66.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.8 m -134.03 147.4 50.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 150.89 20.46 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.35 170.19 34.46 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.236 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -121.38 143.57 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.83 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 111.321 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -117.36 140.12 49.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.441 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -116.81 131.13 57.03 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.806 -174.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -108.8 139.04 44.18 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.34 107.99 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 110.747 -173.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -84.67 121.82 28.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.741 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.37 -14.69 58.84 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.663 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -116.46 147.67 41.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.664 0.732 . . . . 0.0 109.27 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 93.1 mmm -89.58 164.92 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.966 0.412 . . . . 0.0 111.107 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 68.0 116.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.342 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -80.62 162.23 24.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.041 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -133.18 164.02 27.98 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.745 -173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.84 142.61 13.81 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.58 167.06 28.67 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.39 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.99 150.1 41.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.131 -0.534 . . . . 0.0 109.631 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.49 136.97 53.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.816 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 135.99 54.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -129.7 135.77 48.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 111.753 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -126.34 137.83 53.51 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -136.33 140.08 43.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -126.57 141.7 51.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.455 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -131.93 146.63 52.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.27 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.3 146.07 24.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.144 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.62 -45.22 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -104.29 -13.29 16.21 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -147.23 76.73 11.07 Favored Pre-proline 0 C--O 1.234 0.263 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.5 134.4 28.43 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.709 0.939 . . . . 0.0 113.197 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.35 134.93 50.94 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 170.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.86 116.72 5.19 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 119.751 -1.214 . . . . 0.0 110.207 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.69 130.74 73.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.3 pt -129.66 142.76 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.78 129.98 7.26 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -127.99 137.03 52.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.49 127.97 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.9 m -120.13 133.09 55.6 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.5 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -122.08 122.79 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 m -125.4 139.44 53.66 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.43 0.456 . . . . 0.0 110.315 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -156.9 156.16 32.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -139.18 134.16 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 110.108 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -110.43 144.1 39.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -122.35 149.1 44.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -79.53 148.08 31.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 143.89 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 p -173.67 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.262 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -58.6 -33.02 69.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.493 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.08 52.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 119.863 -0.409 . . . . 0.0 113.193 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.62 114.61 26.98 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 117.974 0.887 . . . . 0.0 109.848 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -114.99 119.91 38.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.796 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -138.88 157.47 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.214 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -120.69 128.53 53.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.897 0.379 . . . . 0.0 110.776 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -120.76 122.93 41.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.93 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -149.43 158.35 44.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.011 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -149.45 155.59 40.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.214 0.53 . . . . 0.0 111.703 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.41 143.7 51.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.93 135.46 8.49 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.0 mt -116.26 125.83 73.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -140.13 160.02 40.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.026 0.441 . . . . 0.0 111.578 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.46 154.63 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.359 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.56 140.39 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.099 -1.048 . . . . 0.0 112.902 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 163.09 35.04 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 CA-C-N 119.697 1.749 . . . . 0.0 111.595 166.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.87 152.78 41.59 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.166 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -122.02 130.15 53.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.613 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -111.62 137.07 49.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.62 139.32 49.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.783 177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -60.04 -44.29 94.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.867 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -93.39 -31.0 14.8 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -104.94 150.51 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.91 -177.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -106.98 151.01 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.04 151.63 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -148.0 157.42 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.885 176.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -134.04 145.66 17.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.14 151.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 111.416 -172.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.85 153.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.54 39.18 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.028 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -129.99 139.88 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.37 137.54 10.71 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.04 138.55 52.62 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.66 153.15 19.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -136.56 141.18 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.35 . . . . 0.0 110.592 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -108.87 138.48 45.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.849 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -104.29 125.25 50.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.943 0.401 . . . . 0.0 110.901 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.0 t -145.08 173.0 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.0 m -98.89 125.92 44.42 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 178.98 149.33 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.753 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -80.45 147.07 62.94 Favored Pre-proline 0 C--N 1.33 -0.242 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -55.92 134.45 64.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 120.619 0.879 . . . . 0.0 112.98 -165.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.8 m -118.5 154.09 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.246 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -107.16 121.56 44.75 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.268 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -114.42 149.78 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.896 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -55.87 -45.28 78.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.841 0.353 . . . . 0.0 110.537 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -103.78 110.51 22.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.021 176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -61.41 -43.84 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.414 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.1 p -131.14 169.02 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.226 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -95.93 132.72 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -134.66 155.53 50.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.122 0.487 . . . . 0.0 112.144 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.53 171.7 30.35 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.04 143.57 44.09 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.2 m -131.98 146.68 52.24 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.23 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -147.24 151.34 36.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.929 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.75 -178.33 44.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.847 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.03 157.91 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.24 161.61 28.5 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.82 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.6 tp -127.48 138.3 52.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.15 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -133.11 159.28 40.56 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.396 -175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.89 65.68 0.33 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.629 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -91.66 -22.59 0.5 Allowed 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.912 1.741 . . . . 0.0 113.279 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -55.01 -36.04 65.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.618 0.247 . . . . 0.0 111.318 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -91.01 177.0 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -80.9 7.21 11.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.6 p -134.39 141.76 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 O-C-N 122.079 -0.388 . . . . 0.0 110.074 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.04 157.01 47.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.114 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.6 mt -116.05 146.07 42.48 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -123.57 126.93 47.54 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.141 0.275 . . . . 0.0 110.296 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -119.82 126.3 50.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.301 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -143.06 146.19 33.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -117.28 121.36 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.685 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.97 136.92 54.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.969 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -125.27 145.02 50.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.4 t -137.66 146.39 43.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 111.085 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -118.37 121.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.492 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.0 tt -127.56 95.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 17.05 95.16 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -165.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t 74.2 -8.67 1.4 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 169.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.0 t -105.63 135.29 44.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.573 0.624 . . . . 0.0 109.37 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.0 127.46 51.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.49 128.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.17 127.2 6.86 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 59.4 p -125.74 144.07 50.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.155 0.503 . . . . 0.0 111.15 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -118.11 121.96 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.45 136.96 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 111.197 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.18 143.65 34.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.52 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.81 -177.98 30.46 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.232 -0.985 . . . . 0.0 112.207 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -136.8 149.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 160.73 26.73 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.627 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -128.33 143.09 50.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.387 -0.406 . . . . 0.0 109.967 -177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -108.27 135.74 49.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.411 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.5 m -121.52 139.8 53.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -125.24 149.14 48.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.13 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.7 m -127.18 133.14 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.104 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.07 134.02 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 t -141.03 156.32 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.054 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 151.03 21.88 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.97 31.47 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.286 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -117.84 143.31 46.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.19 144.28 38.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -121.8 140.09 52.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.293 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -125.39 147.17 49.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -130.0 139.09 51.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.213 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.35 107.8 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.448 0.642 . . . . 0.0 110.078 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.36 121.91 18.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.936 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.75 -14.69 64.42 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.607 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -116.51 158.25 23.91 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.773 0.786 . . . . 0.0 109.961 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.0 mtt -102.06 97.94 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -175.92 152.51 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.971 0.415 . . . . 0.0 111.705 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.4 145.67 49.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.721 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.8 mtp -135.08 158.47 44.28 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.662 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.44 138.79 9.96 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.9 168.05 28.78 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.202 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.56 150.55 41.49 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -132.62 140.17 48.09 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.116 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.9 136.5 54.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -129.57 144.8 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.199 0.523 . . . . 0.0 111.836 -174.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -124.48 138.99 54.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.962 174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -138.02 140.1 39.96 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 123.212 0.32 . . . . 0.0 111.523 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.62 142.0 51.12 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.0 148.07 51.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.299 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -102.06 141.03 35.54 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.303 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.13 -45.22 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -104.08 -13.39 16.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.22 72.9 12.05 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.06 134.48 19.59 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 120.908 1.072 . . . . 0.0 113.414 -170.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -126.12 127.35 45.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.09 116.93 5.27 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.416 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.36 130.68 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -125.23 130.99 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.581 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.8 129.84 8.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -128.1 137.1 52.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -116.51 128.79 55.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -119.64 133.54 55.6 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.999 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.39 122.82 41.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 108.956 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -127.56 144.61 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.38 161.55 34.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.415 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -132.61 133.45 43.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.297 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -119.91 140.91 50.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -140.0 139.73 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.8 m -124.87 130.23 51.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.894 0.378 . . . . 0.0 110.384 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.35 48.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -60.66 -36.47 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.04 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -60.55 -36.29 78.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.662 0.267 . . . . 0.0 111.203 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.07 7.58 58.41 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.296 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -85.23 118.61 24.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 117.982 0.891 . . . . 0.0 110.45 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -137.41 152.09 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -134.13 169.24 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.413 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -105.93 127.17 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 0.0 111.026 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -123.28 132.64 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.88 176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -129.19 143.99 51.05 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.723 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -134.29 132.93 40.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.074 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -132.88 138.14 46.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.31 137.15 8.87 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.973 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.19 126.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.15 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.063 0.459 . . . . 0.0 111.74 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.61 152.58 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.433 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.51 139.4 6.98 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.803 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -75.46 163.19 34.77 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 CA-C-N 119.826 1.813 . . . . 0.0 111.949 168.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.11 151.56 46.78 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.438 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -122.18 115.29 22.15 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -114.33 119.55 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.518 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.5 tt -177.25 -60.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 123.521 0.513 . . . . 0.0 111.683 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -103.33 154.57 19.23 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 118.688 0.676 . . . . 0.0 111.483 -174.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 58.94 36.71 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.685 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 57.67 -85.45 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.95 165.36 0.11 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.129 0.49 . . . . 0.0 111.758 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.5 m -113.29 151.22 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.653 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -124.92 151.8 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -148.03 159.14 44.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.085 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.87 145.57 17.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.79 151.79 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 111.406 -172.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.03 153.76 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.94 -177.39 38.66 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.888 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.35 139.44 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.66 14.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -124.92 143.97 50.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.34 141.37 12.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -136.94 141.09 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -131.39 156.11 46.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 0.0 110.776 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -102.08 124.69 48.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 t -144.4 172.14 13.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -98.85 132.25 44.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -158.42 149.28 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.247 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -80.56 147.49 63.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.22 134.67 65.1 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 120.726 0.951 . . . . 0.0 112.315 -163.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -118.45 157.58 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.925 -175.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -96.54 136.9 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.03 138.51 47.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.472 0.653 . . . . 0.0 112.195 -168.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -158.97 -43.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.801 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -139.07 60.8 1.58 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.605 0.717 . . . . 0.0 109.594 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -56.14 -40.64 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.262 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.5 m -120.52 151.63 39.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.734 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -98.26 144.81 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -135.99 157.6 46.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 111.425 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.6 175.13 32.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.05 143.92 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.9 p -134.05 149.06 51.13 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -154.45 162.38 41.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.09 -175.57 47.55 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.06 157.33 46.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.25 159.23 27.92 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.686 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.04 136.96 48.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -110.22 133.98 52.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.513 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -122.98 134.98 54.31 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -129.24 88.0 52.21 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.049 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.31 -165.81 0.35 Allowed 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.339 1.359 . . . . 0.0 111.806 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.4 mtt -55.27 -35.07 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.237 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.21 152.86 7.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.796 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.96 12.08 3.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p -128.15 144.94 36.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.133 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 152.24 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.169 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.67 141.69 44.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.206 -176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -120.32 126.91 51.7 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -123.38 129.6 51.52 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.0 m -143.05 153.68 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.366 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -114.13 124.87 53.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.359 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -121.6 135.19 55.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.022 0.439 . . . . 0.0 111.401 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -128.37 144.71 51.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.489 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -138.07 140.3 39.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -119.27 129.61 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.683 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -127.1 112.14 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -45.09 95.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.135 0.897 . . . . 0.0 112.578 -158.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m 148.13 -53.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 125.671 1.857 . . . . 0.0 109.288 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.46 139.12 33.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.605 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -104.02 118.89 37.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.804 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.3 t -110.64 133.95 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 O-C-N 122.271 -0.268 . . . . 0.0 110.411 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 132.77 9.3 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.009 -1.237 . . . . 0.0 110.009 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.3 m -132.87 136.75 46.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.894 0.347 . . . . 0.0 111.103 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -106.96 126.29 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.1 tt -128.06 135.06 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.058 0.456 . . . . 0.0 111.083 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.04 147.06 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.815 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.72 -177.96 32.29 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.13 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.85 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 162.11 26.75 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.818 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -129.9 143.23 50.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.525 -0.337 . . . . 0.0 110.242 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -94.7 139.32 31.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.16 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.598 178.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.9 m -122.7 141.04 52.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.362 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.26 145.38 49.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.403 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -130.06 133.27 46.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -123.24 132.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.0 p -136.16 161.68 35.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.026 0.441 . . . . 0.0 110.593 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 150.85 23.06 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.8 170.15 34.15 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.231 -176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -120.54 143.95 48.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 150.61 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.09 140.12 50.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.538 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.0 p -124.28 145.71 49.22 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.138 -174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -128.07 139.06 52.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.098 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.03 107.91 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 110.466 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -73.24 121.88 21.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.915 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.94 -14.62 64.78 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.84 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -116.59 154.69 30.03 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 117.706 0.753 . . . . 0.0 109.755 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.4 mtm -101.99 97.86 8.14 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.858 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -175.23 151.38 1.27 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.286 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -135.12 137.56 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.457 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -128.85 149.66 50.66 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.297 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.52 131.46 6.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.04 168.36 28.24 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.264 -174.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -120.98 152.51 38.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -136.07 141.86 44.28 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.193 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.7 mt -128.66 135.91 49.93 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -146.07 158.02 43.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.371 0.605 . . . . 0.0 112.444 -175.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -131.94 139.36 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.619 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -125.08 140.08 53.21 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.322 0.389 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -123.33 140.79 52.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -131.98 148.13 52.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.139 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -89.3 142.04 28.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.33 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -67.47 -45.05 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -104.13 -13.32 16.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 p -147.21 73.02 12.05 Favored Pre-proline 0 C--O 1.235 0.303 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -68.51 134.5 30.92 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 120.873 1.048 . . . . 0.0 113.228 -169.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.25 135.08 51.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.99 116.83 5.34 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.42 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -127.87 130.65 70.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 tt -135.71 140.38 44.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.96 131.35 8.42 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m -127.87 137.2 52.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.538 0.209 . . . . 0.0 111.114 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -119.18 127.23 53.11 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 m -124.06 140.88 52.55 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.89 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -131.58 130.15 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 p -122.23 148.95 44.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -177.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -128.86 166.48 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.754 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -86.96 136.98 32.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.263 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.4 t -99.05 146.7 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.89 134.83 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.647 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.6 m -131.94 148.02 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.86 126.5 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.007 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 p -155.81 -174.8 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.7 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 p -81.21 17.91 1.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 -5.57 50.13 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-O 119.71 -0.494 . . . . 0.0 113.439 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.86 112.05 23.73 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.055 0.927 . . . . 0.0 110.357 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -133.17 134.29 43.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -116.11 130.21 56.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.359 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -85.47 125.65 33.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -127.98 126.17 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -124.46 143.94 50.36 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.03 144.45 32.28 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.32 0.388 . . . . 0.0 111.02 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -136.12 140.18 43.5 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.5 137.16 8.54 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.047 -174.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.05 130.14 71.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.05 159.96 41.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.213 0.53 . . . . 0.0 111.774 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.97 149.93 31.1 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.11 142.25 9.51 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.087 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.45 163.19 34.82 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.802 1.668 . . . . 0.0 111.582 166.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.69 155.13 50.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -118.68 125.1 48.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.992 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -114.22 138.16 50.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.791 0.682 . . . . 0.0 110.267 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.4 mt 80.13 -29.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.594 0.758 . . . . 0.0 112.652 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -53.81 -37.06 63.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.255 0.48 . . . . 0.0 111.205 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -145.5 176.96 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.306 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -58.41 141.13 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.148 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 56.67 -173.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.292 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -111.21 146.99 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -124.95 151.67 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -135.48 149.3 49.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.23 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.86 145.39 17.37 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.9 m -137.85 152.01 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 112.146 -169.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.52 153.65 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.03 -178.56 40.52 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.796 -1.192 . . . . 0.0 112.122 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -134.55 139.55 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.11 145.53 16.69 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -128.05 147.01 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.26 160.09 27.18 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.113 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -134.36 137.92 44.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.922 -0.639 . . . . 0.0 110.122 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -121.43 156.05 33.55 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.537 0.523 . . . . 0.0 110.585 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -90.11 120.64 31.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.613 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.7 m -136.23 154.93 50.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.5 m -98.92 125.87 44.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -179.76 149.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 -172.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -80.42 142.77 54.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -56.03 134.47 64.31 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 120.8 1.0 . . . . 0.0 113.014 -165.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.0 m -118.48 156.37 29.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.354 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -97.03 121.64 39.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.697 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -114.33 148.33 37.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.932 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -58.2 -41.14 83.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.246 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.64 125.85 38.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.907 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.1 p -68.17 -30.64 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.112 -176.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -115.86 160.78 19.71 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.973 0.416 . . . . 0.0 111.108 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -95.98 135.23 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.528 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.13 154.4 36.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 111.896 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 168.48 25.76 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.273 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -109.67 138.65 45.73 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.7 p -130.74 145.99 52.09 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.653 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -146.46 151.2 37.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.34 -178.68 43.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.984 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.21 158.53 43.98 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.42 165.26 29.94 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.4 mt -128.9 149.96 50.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -116.67 137.26 52.32 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.183 0.302 . . . . 0.0 110.542 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -122.94 136.79 54.99 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -121.69 90.82 48.4 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.919 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.24 -167.91 0.55 Allowed 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.454 1.436 . . . . 0.0 112.002 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.2 mtp -56.88 -37.79 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.003 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.67 153.66 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.552 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -80.79 12.0 3.51 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -115.21 145.69 20.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.78 149.83 36.33 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.61 138.29 50.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.885 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.75 137.15 52.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -136.31 141.66 43.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.5 m -143.06 154.65 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.387 . . . . 0.0 111.024 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.82 117.9 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -114.24 134.34 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.25 133.43 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.596 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m -126.23 137.83 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.27 130.07 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.202 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 85.4 mt -127.25 110.03 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 168.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -45.15 95.14 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.227 0.954 . . . . 0.0 112.657 -158.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.0 m 150.52 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 125.389 1.681 . . . . 0.0 109.016 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 p -109.45 137.26 42.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.309 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.16 119.35 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.945 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.2 132.41 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.36 -177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 132.95 9.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 32.1 m -133.45 139.19 46.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -106.06 131.69 53.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.601 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.2 mt -121.04 131.31 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.769 0.318 . . . . 0.0 110.54 -177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.6 139.19 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.962 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.63 -177.95 35.14 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.522 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.47 155.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.06 157.02 25.84 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.695 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -131.67 142.43 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -119.9 137.76 53.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.596 179.729 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 m -122.51 140.33 52.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.15 147.93 52.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.352 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -130.91 133.22 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.88 128.0 68.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -136.11 146.47 47.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.329 0.393 . . . . 0.0 110.77 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.68 150.79 22.54 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 174.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.8 170.03 33.59 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.906 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -121.46 144.1 48.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.066 -0.567 . . . . 0.0 109.762 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 147.43 41.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.061 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.42 140.05 53.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -121.2 138.48 54.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.94 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -115.89 139.05 50.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.286 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.34 107.95 19.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.362 0.601 . . . . 0.0 110.156 -176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -82.87 121.92 27.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.007 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.24 -14.6 57.2 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.738 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -116.42 144.85 43.77 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.598 0.699 . . . . 0.0 109.622 171.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.2 mtt -90.93 97.82 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.066 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -176.85 147.3 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -134.91 146.7 49.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.931 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 93.5 mmm -131.79 147.5 52.49 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.08 -176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.97 131.59 6.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.9 168.26 29.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.465 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -130.09 156.4 44.59 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -144.02 150.19 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.374 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.65 138.92 53.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.552 177.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.93 141.07 51.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.98 139.09 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.559 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -134.78 140.28 45.77 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.911 0.386 . . . . 0.0 111.795 -175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -124.08 136.51 54.29 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.56 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -134.06 148.14 51.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.031 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -100.39 144.48 29.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.289 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -67.6 -45.12 76.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -100.76 -13.23 18.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -147.1 74.89 11.84 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.48 134.59 33.66 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 120.867 1.045 . . . . 0.0 112.9 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.22 132.32 51.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 172.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.79 116.84 5.21 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.84 130.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -125.74 131.99 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.975 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.83 129.71 7.37 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 171.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -128.26 137.1 51.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 111.26 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.9 125.41 54.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.5 m -118.57 135.43 54.43 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.763 -175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -123.49 123.53 40.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 p -123.22 142.65 50.7 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.466 0.479 . . . . 0.0 110.241 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.6 147.52 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.18 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -92.57 136.4 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.207 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.0 p -112.92 142.79 45.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.918 0.389 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -139.99 141.6 36.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.159 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 m -70.07 135.22 49.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.299 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.32 135.9 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -169.49 -66.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.364 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.7 p -63.09 -29.49 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.35 -2.63 54.12 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.384 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -77.26 138.46 39.41 Favored 'General case' 0 CA--C 1.527 0.068 0 CA-C-N 118.062 0.931 . . . . 0.0 110.425 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -116.09 127.36 54.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.709 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -114.14 131.09 56.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.231 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -108.4 105.34 14.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.639 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -128.04 128.67 45.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -135.13 143.98 46.85 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.856 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.02 136.69 48.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -124.11 139.95 53.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.38 130.8 6.14 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.64 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.27 127.97 73.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -140.05 159.98 40.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.154 0.502 . . . . 0.0 111.853 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.01 150.36 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.187 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.3 139.72 7.23 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.681 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.35 163.08 35.25 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 CA-C-N 119.847 1.823 . . . . 0.0 111.223 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.57 149.83 42.89 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.599 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -122.16 130.06 52.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.069 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -114.01 107.94 16.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.249 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.7 mt -70.18 -49.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -136.02 -172.8 3.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.439 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -48.74 -31.81 7.53 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -129.94 178.04 6.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.894 0.378 . . . . 0.0 110.537 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.64 92.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.002 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.4 p -123.97 151.18 43.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.721 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -128.26 151.88 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -144.3 159.02 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.97 145.7 17.67 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.75 148.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 117.253 0.526 . . . . 0.0 111.735 -170.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.5 m -134.7 153.84 35.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.07 -179.8 40.81 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.006 -1.092 . . . . 0.0 112.197 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.5 t -127.46 138.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.05 133.64 10.03 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -122.57 138.11 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.19 146.95 18.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -138.85 135.93 35.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.412 -0.394 . . . . 0.0 109.949 178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -133.93 156.03 48.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.4 0.437 . . . . 0.0 109.999 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -106.2 119.75 40.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.18 0.514 . . . . 0.0 111.482 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.0 p -145.06 170.83 15.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.224 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.6 p -98.95 125.48 44.4 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.043 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 173.62 149.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.239 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -81.01 114.74 51.08 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.53 134.55 18.81 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.085 1.19 . . . . 0.0 113.492 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -118.34 120.82 38.75 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -161.27 162.01 30.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.957 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -100.84 155.13 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 81.1 t60 66.15 -82.72 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.611 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -139.53 156.23 47.03 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 118.138 0.426 . . . . 0.0 111.359 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.7 m -60.94 -40.0 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.325 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.94 155.27 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.672 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -102.03 143.4 31.93 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -136.09 154.96 50.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 111.666 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.47 170.96 29.67 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.06 144.56 42.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.365 0.082 . . . . 0.0 110.799 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -128.43 142.63 51.04 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.249 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -136.53 145.59 45.23 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.471 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.62 179.87 42.39 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.329 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.58 157.11 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.52 159.23 27.96 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.887 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -123.78 146.41 48.35 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -109.93 131.7 54.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.526 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -122.95 139.08 54.44 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -123.35 87.54 51.7 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.936 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.85 -168.06 0.47 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.372 1.381 . . . . 0.0 111.917 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.6 mtm -56.25 -35.62 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.184 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.49 154.2 6.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.798 0.333 . . . . 0.0 110.732 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -80.96 12.09 3.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.72 157.07 33.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 O-C-N 122.166 -0.333 . . . . 0.0 110.166 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.01 152.24 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.24 145.51 46.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -122.09 126.98 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -116.95 126.14 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.839 0.712 . . . . 0.0 109.454 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.8 t -143.08 148.07 36.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.0 111.395 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -115.98 122.3 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.625 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -117.85 138.06 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.177 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -125.56 138.69 53.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.2 m -130.42 145.91 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -116.32 120.56 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.489 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.4 94.74 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 15.5 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.985 1.314 . . . . 0.0 114.414 -165.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.7 t 74.04 -8.81 1.36 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -104.68 134.32 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 118.538 0.608 . . . . 0.0 109.461 177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -103.34 123.3 46.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.598 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.97 133.07 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 132.02 8.94 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 31.0 m -126.43 136.18 52.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.066 0.46 . . . . 0.0 111.287 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -107.34 121.89 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.9 tt -127.27 137.19 58.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.084 0.468 . . . . 0.0 111.405 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 139.09 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.831 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.48 169.75 26.97 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.251 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.9 t -137.44 144.99 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.62 168.21 27.42 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.685 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -134.09 143.15 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.553 0.216 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -103.51 141.54 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.752 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.557 179.255 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p -123.89 141.2 52.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.37 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -128.49 151.51 49.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.222 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.2 m -130.34 133.19 46.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.475 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.71 128.43 71.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.1 p -131.39 158.53 40.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 0.0 110.796 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 150.8 23.06 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 171.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.38 170.06 33.37 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.112 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.86 143.91 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.15 144.43 38.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -123.09 140.04 53.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -122.35 141.41 51.59 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.007 -174.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -107.46 136.95 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.66 107.93 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.171 0.51 . . . . 0.0 110.677 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -79.27 121.98 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.496 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.65 -14.51 64.75 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.695 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -116.44 146.05 42.82 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.774 0.787 . . . . 0.0 109.48 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.4 mtt -86.56 160.48 18.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 66.93 135.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.812 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -85.16 162.17 19.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.2 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mtp -115.96 150.1 37.71 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.446 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.72 138.15 9.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.81 168.16 31.12 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.273 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.97 150.25 41.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -133.66 137.65 45.48 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.144 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 tp -124.18 135.88 53.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -130.58 142.6 50.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.697 -174.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.064 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -130.36 140.11 50.63 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.767 0.318 . . . . 0.0 111.217 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -127.21 142.01 51.59 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.99 146.13 52.28 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.11 146.53 24.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.149 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -71.38 -45.16 63.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -104.19 -13.31 16.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -147.26 75.57 11.46 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.06 134.4 19.47 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.716 0.944 . . . . 0.0 113.294 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -126.15 135.28 51.47 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.84 116.66 5.17 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -174.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -124.01 130.82 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.8 tt -126.61 132.12 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.803 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.93 129.94 8.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 m -125.46 137.14 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.966 0.412 . . . . 0.0 111.219 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -113.58 122.84 48.43 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 t -119.74 135.8 54.7 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.635 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -129.97 124.63 33.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.391 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.3 p -129.27 154.73 46.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -134.3 155.13 50.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.318 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -134.67 132.93 39.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.156 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -115.22 136.31 53.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -140.14 156.99 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -124.93 135.55 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.365 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.99 147.31 51.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -60.29 -36.65 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -55.76 -35.4 66.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.34 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.11 21.1 47.07 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.75 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -82.0 120.63 25.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.494 0.647 . . . . 0.0 110.182 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -111.51 134.47 53.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.798 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -146.54 -178.03 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.255 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -130.83 121.93 26.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.605 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -125.75 136.19 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.794 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -134.62 150.81 50.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.696 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 131.03 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.895 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.79 150.39 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 137.25 8.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -174.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.94 125.84 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -130.81 160.0 35.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.147 0.499 . . . . 0.0 111.445 -176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.59 146.32 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.255 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.66 138.41 6.65 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.659 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.29 163.11 35.31 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 CA-C-N 119.888 1.844 . . . . 0.0 111.465 167.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.66 154.19 42.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.54 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.99 130.14 53.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.042 -177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -90.72 132.49 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.442 0.464 . . . . 0.0 110.184 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.44 158.33 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.515 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -49.46 -35.03 18.31 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.673 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.47 144.54 48.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 173.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -51.97 -34.38 42.07 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 144.36 56.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 111.164 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -121.29 151.08 40.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.429 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.41 HG22 HD13 ' A' ' 79' ' ' ILE . 44.2 pt -125.54 151.92 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.419 -175.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -146.63 159.09 43.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.895 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.96 145.68 17.65 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.91 151.14 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 111.413 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.3 153.67 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -164.96 178.67 39.96 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.328 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.12 138.33 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -119.62 140.74 15.05 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -122.74 133.17 54.49 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.54 130.59 9.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -137.0 141.04 42.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.56 156.04 32.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.195 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -113.18 132.66 55.4 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.074 0.464 . . . . 0.0 111.47 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 p -136.98 173.0 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.678 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.6 m -98.72 125.75 44.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 176.51 149.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.442 -171.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -80.43 139.61 51.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.9 134.46 50.08 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 120.81 1.007 . . . . 0.0 113.239 -165.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.3 m -118.46 151.38 37.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.366 172.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -97.65 121.57 39.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.115 176.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -114.35 147.41 39.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.791 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.93 -45.39 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -139.67 160.2 40.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.827 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 t -174.73 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 t -74.57 151.37 39.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.648 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.89 123.97 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -113.09 138.38 50.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.715 0.293 . . . . 0.0 111.034 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.07 160.17 25.74 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.11 143.65 43.99 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.3 t -131.11 139.42 49.84 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -137.35 142.86 41.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.43 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.96 -177.87 41.14 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.21 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.54 159.05 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.34 158.46 27.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.465 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.48 136.81 53.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -109.84 129.26 55.66 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.316 0.385 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.96 141.69 51.65 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -119.52 83.0 26.21 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.103 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -61.88 -41.01 40.17 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.274 1.316 . . . . 0.0 110.966 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.1 mtt -126.22 157.8 37.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.843 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.53 -37.32 83.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.05 3.42 51.87 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.5 t -132.9 134.36 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 118.247 0.476 . . . . 0.0 110.566 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -140.77 151.69 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.143 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.92 143.28 49.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.45 127.12 43.55 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.402 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.77 133.04 54.92 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.2 t -143.07 143.54 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 111.338 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -115.22 123.27 48.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.443 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.29 138.13 54.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.345 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -116.77 139.97 49.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.8 t -132.8 141.0 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.388 . . . . 0.0 111.047 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -113.49 117.83 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.292 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.42 94.91 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 15.24 95.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -165.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 p 73.45 -7.53 1.53 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.94 133.54 47.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 118.552 0.615 . . . . 0.0 109.585 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -104.05 121.23 42.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.665 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.14 133.12 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.659 0.266 . . . . 0.0 110.378 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 127.45 6.97 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -123.21 134.98 54.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -114.29 121.92 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.2 tt -126.44 138.44 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.051 0.453 . . . . 0.0 111.03 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.96 140.8 34.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.744 175.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.42 175.48 30.26 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.911 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.97 149.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -151.19 177.43 29.17 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -135.04 143.24 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.375 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -106.74 140.15 40.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.858 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.99 140.98 52.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.244 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.19 146.0 48.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.147 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.0 p -130.4 133.37 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.055 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.62 132.48 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -136.32 165.45 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.704 -176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.73 22.59 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.13 170.02 34.86 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.842 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -128.73 144.23 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.213 -0.493 . . . . 0.0 109.938 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.28 147.2 41.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -115.2 140.06 49.41 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 m -120.6 139.56 52.79 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.25 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.19 125.26 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.92 107.85 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.344 0.593 . . . . 0.0 110.117 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -85.01 121.93 28.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.42 -14.32 60.92 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.708 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -116.23 174.08 6.25 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 117.715 0.758 . . . . 0.0 110.118 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -94.57 153.66 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.437 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.282 0.989 . . . . 0.0 113.13 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -108.82 162.13 14.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.849 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mtm -117.97 159.4 23.23 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.79 141.49 11.99 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.22 168.05 32.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.923 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.19 155.11 45.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -143.97 150.19 37.93 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.789 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -123.78 140.5 52.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.402 175.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -120.92 142.38 49.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.2 0.524 . . . . 0.0 111.474 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -121.98 139.12 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.603 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -129.98 140.24 50.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -122.73 134.73 54.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.269 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -126.93 146.18 50.4 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.798 0.333 . . . . 0.0 111.115 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.62 140.45 32.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.32 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -67.59 -44.86 77.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.27 -13.27 17.44 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -147.15 73.88 11.96 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -59.89 134.51 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.907 1.071 . . . . 0.0 112.896 -170.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.3 135.2 51.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.271 172.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.73 116.85 5.21 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.98 130.76 74.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.43 130.83 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.81 129.88 6.74 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -128.06 137.1 52.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.259 -175.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -114.32 122.63 47.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.2 m -121.81 137.69 54.67 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -123.81 129.94 51.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.343 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.6 p -128.05 153.6 46.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.422 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.49 147.15 52.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.776 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -124.46 132.13 53.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 t -114.55 138.68 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -134.44 144.13 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -116.3 135.65 53.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.388 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.08 155.51 46.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 m -57.42 -37.33 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -60.53 -32.53 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.601 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.14 21.01 56.34 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.814 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -82.61 169.3 16.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 117.538 0.669 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -118.41 132.1 56.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -115.06 130.27 56.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -89.73 116.55 27.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.625 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -128.07 128.49 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.103 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -137.66 143.85 41.56 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -141.81 138.25 32.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.289 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -135.98 151.32 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.96 137.31 6.84 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.49 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.02 140.19 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.1 p -133.43 161.12 35.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.098 0.475 . . . . 0.0 111.508 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.07 144.98 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.084 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 159.64 31.36 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 119.614 -1.279 . . . . 0.0 114.122 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.31 163.15 35.19 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.231 1.954 . . . . 0.0 113.016 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.16 154.99 40.88 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.466 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -118.25 129.58 55.56 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -114.02 138.17 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.614 0.572 . . . . 0.0 110.732 -176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.7 mm 63.24 49.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.673 0.749 . . . . 0.0 109.877 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -82.8 178.0 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.571 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.49 -37.79 63.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.746 0.307 . . . . 0.0 111.131 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -135.74 106.57 6.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 176.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 52.99 -172.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.368 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -110.73 151.1 28.15 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.9 tt -137.68 151.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.348 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -147.08 154.87 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.973 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.28 145.66 16.95 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.14 157.27 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 117.223 0.511 . . . . 0.0 111.608 -173.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.98 153.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.56 179.53 38.57 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.28 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.27 143.51 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.11 153.69 20.85 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -128.05 145.49 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 156.22 26.33 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.805 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -140.06 140.87 36.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.183 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.44 156.06 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.256 0.348 . . . . 0.0 110.959 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -106.18 127.69 53.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.403 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.5 t -145.06 170.47 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.9 m -98.85 125.96 44.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -178.64 149.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.017 -173.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -80.54 147.06 62.54 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.76 134.56 64.77 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 120.75 0.967 . . . . 0.0 112.753 -167.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.6 p -118.41 157.25 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.609 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -96.87 121.64 38.96 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.051 176.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -114.21 148.08 37.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.884 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -56.96 -38.67 73.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -131.96 138.88 48.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.419 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.3 m -57.27 -39.48 75.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.0 p -104.29 159.34 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.475 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.93 128.16 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -128.65 155.73 44.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.077 0.465 . . . . 0.0 111.515 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.07 169.54 30.12 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -113.13 147.09 38.05 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -134.17 141.04 46.93 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.102 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -135.45 144.48 46.47 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -169.04 175.55 43.41 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 119.88 -1.153 . . . . 0.0 112.565 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.95 157.36 43.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.07 164.84 28.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.507 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.05 144.09 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -114.34 129.59 56.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.302 0.376 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -122.99 151.56 41.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.184 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -117.5 83.53 17.14 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.389 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.02 -64.96 0.16 Allowed 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.39 1.394 . . . . 0.0 112.315 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.6 mtp -95.23 -73.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.94 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -174.94 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.815 0.341 . . . . 0.0 110.985 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -83.71 5.06 26.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p -132.78 141.01 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 118.077 0.399 . . . . 0.0 109.983 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.62 152.71 51.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.6 142.57 46.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -127.37 127.22 43.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.516 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -122.91 131.93 53.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.576 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.2 t -143.02 147.61 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.96 0.41 . . . . 0.0 111.423 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.531 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -114.54 136.5 52.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -175.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -122.52 130.0 52.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -131.49 143.74 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -117.52 119.97 36.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.253 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.0 mt -127.4 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 14.88 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -164.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 p 74.4 -9.14 1.34 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.15 134.02 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 CA-C-N 118.569 0.622 . . . . 0.0 109.583 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.0 129.83 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 122.28 5.14 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 32.1 m -123.78 134.62 53.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.017 0.437 . . . . 0.0 111.553 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -110.59 127.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 13.8 tt -130.14 141.54 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.454 . . . . 0.0 111.527 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.76 145.06 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.9 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.95 30.63 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.951 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -128.49 154.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.01 151.33 22.43 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.637 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.9 143.04 50.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -117.28 144.91 44.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m -122.47 141.02 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -126.87 142.0 51.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.216 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m -130.52 133.16 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.06 128.83 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 m -133.27 145.99 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.379 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.67 150.85 20.0 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.83 170.04 34.7 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.145 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -131.13 144.1 51.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.952 -0.624 . . . . 0.0 109.966 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 149.35 44.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -116.68 140.08 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -122.47 138.45 54.55 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.95 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -115.51 127.01 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.09 107.89 17.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.313 0.578 . . . . 0.0 110.242 -174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -70.36 122.0 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.414 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.93 -14.37 60.16 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 124.209 0.943 . . . . 0.0 112.703 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -116.42 162.05 18.15 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 117.811 0.805 . . . . 0.0 110.145 173.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.8 mtt -102.06 162.75 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 111.183 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 68.59 133.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.999 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -79.97 154.39 28.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.022 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -119.3 153.92 34.31 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.24 136.11 8.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 164.21 28.2 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.893 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -141.82 150.09 41.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.93 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.88 142.12 51.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.731 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -127.04 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.176 0.512 . . . . 0.0 111.817 -169.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.08 139.11 54.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -132.31 140.11 48.45 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.239 0.337 . . . . 0.0 111.048 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -125.13 141.98 51.78 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.474 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -122.6 145.12 48.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.948 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -100.72 141.89 32.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.213 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.96 -45.29 51.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -104.01 -13.33 16.35 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.6 m -147.16 80.92 9.13 Favored Pre-proline 0 C--O 1.234 0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -59.94 134.21 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.723 0.948 . . . . 0.0 112.531 -168.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -126.4 135.24 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.654 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.82 116.73 5.48 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.2 130.8 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -126.72 130.94 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.18 129.9 6.67 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 p -128.27 137.21 51.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 111.248 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -107.01 123.58 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -117.35 135.2 54.03 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.043 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.07 124.5 44.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -122.46 141.64 51.41 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.322 0.389 . . . . 0.0 110.45 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.91 146.34 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.381 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -101.12 138.05 38.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.206 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.1 t -87.89 137.46 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.014 0.435 . . . . 0.0 110.549 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -69.98 143.67 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.081 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 p -127.23 148.1 50.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.099 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.71 47.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.666 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 p 179.82 -70.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.379 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 m -61.24 -36.63 80.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.315 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 20.98 52.18 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.697 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -123.03 135.71 54.55 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.508 0.654 . . . . 0.0 110.243 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.6 124.85 26.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.678 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -139.07 119.95 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.347 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -128.39 123.13 33.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -128.01 131.56 49.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -122.46 143.89 49.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -124.67 137.34 54.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 111.268 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -127.25 133.95 50.14 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.42 137.16 9.31 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.112 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -115.95 128.22 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -134.99 161.11 36.21 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.956 0.408 . . . . 0.0 111.299 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.95 147.47 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.417 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.93 134.43 4.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.644 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.36 163.19 35.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 CA-C-N 120.182 1.991 . . . . 0.0 111.99 168.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.5 155.0 49.37 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.77 130.07 53.14 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -176.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -107.5 131.57 54.17 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.559 0.537 . . . . 0.0 110.3 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.8 mt -124.0 159.69 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -47.08 -32.04 3.82 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -71.27 137.82 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -51.14 -32.14 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.13 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.303 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -124.05 151.01 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.653 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.0 mt -125.2 151.8 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.12 159.04 44.34 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.177 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.83 145.7 17.64 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -137.56 146.0 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.776 -170.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.44 154.12 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.08 -172.93 37.77 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.848 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -133.76 142.88 40.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.01 140.41 12.35 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -119.39 137.15 53.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.89 136.03 12.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -128.12 141.17 51.57 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 124.081 0.518 . . . . 0.0 109.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -131.3 155.95 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.627 0.251 . . . . 0.0 110.353 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -107.12 119.89 40.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.776 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.3 m -145.08 158.97 43.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.984 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.7 m -98.91 125.75 44.41 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 174.81 149.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.392 -171.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -80.46 114.91 51.28 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.02 134.85 20.19 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.041 1.161 . . . . 0.0 114.22 -162.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 p -118.2 155.26 30.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.374 168.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -138.07 128.01 25.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.12 0.486 . . . . 0.0 111.985 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -114.06 121.93 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.244 172.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.2 t60 60.44 -84.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.818 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -130.23 122.95 29.05 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.058 -0.401 . . . . 0.0 110.387 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.3 m -61.14 -42.22 98.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.157 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.9 p -75.5 158.69 32.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.804 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.94 123.32 39.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -121.88 144.78 48.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.979 0.418 . . . . 0.0 111.342 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.22 160.77 25.94 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -113.0 137.84 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.5 m -130.35 144.64 51.51 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.891 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -151.19 159.99 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.45 46.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.37 159.29 42.45 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.88 163.96 28.85 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.841 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -127.55 147.95 50.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.349 -0.426 . . . . 0.0 109.978 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.93 130.53 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.252 0.345 . . . . 0.0 110.148 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.02 156.61 34.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.781 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.31 74.66 0.35 Allowed Pre-proline 0 CA--C 1.534 0.359 0 O-C-N 123.705 0.628 . . . . 0.0 110.719 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -86.19 -52.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 121.704 1.602 . . . . 0.0 112.177 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -57.42 -38.76 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.54 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -59.75 154.18 18.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -80.78 6.02 14.18 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.51 140.82 46.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.99 143.27 45.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.365 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.25 137.13 50.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -121.24 126.89 50.71 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.039 -0.265 . . . . 0.0 110.287 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -122.93 132.66 54.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.4 t -143.07 148.81 37.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 111.371 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -110.82 118.69 36.82 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.37 134.8 55.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 111.385 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.39 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.447 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -131.32 137.53 48.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.663 0.268 . . . . 0.0 110.323 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -119.36 128.73 54.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.776 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.27 106.14 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -43.8 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.261 0.976 . . . . 0.0 113.352 -158.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 p 149.7 -51.87 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 112.905 -1.952 . . . . 0.0 109.179 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.9 t -109.36 135.13 49.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -171.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -104.19 119.93 40.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.92 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.7 t -114.63 133.25 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.499 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.99 130.89 8.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.5 m -128.03 135.87 50.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.437 . . . . 0.0 111.419 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -108.44 123.2 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -128.56 137.64 56.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.141 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.96 172.42 30.61 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.033 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.46 144.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 161.44 26.75 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.905 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -126.35 143.12 51.28 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -112.38 140.47 47.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.001 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.567 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -127.58 142.54 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.167 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.3 m -129.68 133.16 46.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.529 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -116.72 129.03 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 m -135.92 145.99 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.443 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.57 150.85 20.66 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.48 170.08 32.86 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.082 -1.056 . . . . 0.0 112.457 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -125.43 144.04 50.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.887 -0.656 . . . . 0.0 109.6 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.19 148.45 43.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.187 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -121.51 140.18 52.54 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -122.26 143.76 49.4 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.987 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.09 139.02 54.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.226 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -106.93 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 0.0 110.301 -175.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.5 121.83 23.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.029 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.65 64.82 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.715 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -116.58 154.08 31.1 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.695 0.748 . . . . 0.0 109.543 170.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -102.11 97.88 8.13 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.667 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 37.6 p-10 -178.76 153.61 0.68 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.956 0.407 . . . . 0.0 111.04 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -131.94 146.49 52.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.1 mtp -134.84 156.35 49.05 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.101 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.58 138.31 10.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.69 168.14 29.86 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -126.45 155.59 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' HG22 ' A' ' 44' ' ' THR . 23.9 p30 -135.48 146.71 48.43 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.282 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.2 tp -122.83 136.03 54.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.189 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -123.76 140.59 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.101 0.477 . . . . 0.0 111.678 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -122.12 139.02 54.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.544 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -127.9 140.14 52.18 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.42 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -129.85 138.65 51.09 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.448 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.33 148.1 51.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.071 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.28 141.68 28.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.393 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -67.13 -44.22 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.54 -13.32 17.24 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.234 0.278 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.84 134.5 50.54 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.001 1.134 . . . . 0.0 112.915 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.18 135.2 51.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.175 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.88 116.76 5.21 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.91 130.82 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.44 130.96 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.247 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.77 8.37 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -128.18 137.09 51.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.356 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.26 127.61 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 25' ' ' ASN . 72.2 p -115.1 135.23 54.43 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.683 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.31 120.99 32.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.859 0.724 . . . . 0.0 109.056 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.727 HG22 ' HA3' ' A' ' 23' ' ' GLY . 22.7 p -126.78 150.28 49.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.474 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.746 -179.202 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.38 133.57 38.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.5 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.57 139.18 53.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.23 137.02 8.48 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.025 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.34 129.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -140.05 159.56 41.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.974 0.416 . . . . 0.0 111.96 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 151.09 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.714 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.595 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.62 139.45 7.0 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 120.239 -0.981 . . . . 0.0 113.018 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.43 163.16 34.89 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 119.775 1.788 . . . . 0.0 111.958 168.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -138.98 146.69 41.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 -177.816 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.709 0.29 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 113' ' ' LEU . 14.0 tt -129.57 151.76 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -146.89 159.08 43.98 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.881 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.95 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.595 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.44 151.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 111.328 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.3 153.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.96 38.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.853 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.1 t -129.45 139.45 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.21 147.23 18.07 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -128.0 143.67 51.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.598 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.756 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.4 143.04 30.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.178 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -136.03 156.94 47.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.048 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -155.12 173.27 33.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.19 141.98 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 m -131.4 147.07 52.53 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.864 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -151.75 161.91 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.52 -176.65 48.14 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.419 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.58 156.11 46.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.586 0.231 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.68 27.12 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.524 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 79' ' ' ILE . 74.9 mt -123.06 151.22 42.18 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.88 131.68 54.84 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.332 -177.212 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.32 152.87 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.45 143.97 44.07 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.475 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -125.28 126.96 45.94 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -129.31 130.94 46.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.6 p -143.06 157.08 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 111.532 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.47 130.03 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.458 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.15 135.84 54.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.204 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -134.7 139.77 45.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.9 p -142.3 148.21 37.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.025 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -115.7 125.95 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.803 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 15.66 95.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -165.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 t 75.19 -10.36 1.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.32 134.17 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 118.589 0.631 . . . . 0.0 109.443 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -104.1 128.11 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.628 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.96 134.86 62.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 128.25 7.32 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 34.6 m -131.73 136.67 47.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -108.4 130.98 55.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -119.89 128.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.99 141.54 36.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.769 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.1 -177.98 33.68 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.944 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.27 144.97 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.23 169.24 26.38 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.468 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.01 143.23 42.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -115.57 138.77 50.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.408 . . . . 0.0 110.655 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.574 179.535 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.706 0.289 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -132.23 145.92 51.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.344 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.9 m -124.93 133.13 53.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.1 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.8 130.26 74.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.793 HG22 ' HA3' ' A' ' 145' ' ' GLY . 10.5 p -131.41 161.1 33.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 110.275 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.29 150.82 22.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 170.05 32.73 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.394 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.73 144.19 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' ' 141' ' ' ILE . . . -139.13 146.05 40.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.914 0.388 . . . . 0.0 111.435 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -121.1 140.06 52.48 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -122.53 137.99 54.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.185 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -112.78 138.97 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -124.03 108.8 12.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.276 0.56 . . . . 0.0 110.733 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -72.8 122.15 21.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.314 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.28 -14.33 61.11 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.602 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 58.8 tt0 -116.27 156.48 26.54 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 117.718 0.759 . . . . 0.0 109.35 173.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -85.01 165.44 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.285 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 47.61 -174.95 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.06 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -129.45 162.22 28.61 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.607 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.0 mtm -121.37 164.01 17.76 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.446 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.88 142.66 14.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.04 168.08 31.25 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.989 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -128.7 154.99 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.72 138.86 48.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.446 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.07 136.0 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.602 0.564 . . . . 0.0 109.514 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 40' ' ' ILE . 92.3 mttt -122.97 147.44 46.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.227 0.537 . . . . 0.0 111.877 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -127.49 137.72 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.437 172.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -136.22 140.17 43.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -125.05 136.3 53.55 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.95 148.18 49.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 111.143 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -98.42 145.5 26.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.3 -45.07 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.0 -13.14 16.43 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 m -147.18 73.6 11.98 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.89 134.66 22.05 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 120.966 1.111 . . . . 0.0 113.304 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 tp -126.13 135.18 51.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.708 -1.133 . . . . 0.0 107.978 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 117.24 5.32 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.79 130.68 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 27' ' ' LYS . 16.8 tt -125.66 130.95 72.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.86 129.93 7.23 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.4 m -127.66 137.11 52.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.01 0.433 . . . . 0.0 111.347 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CE1' HD13 ' A' ' 65' ' ' ILE . 94.7 m-85 -112.63 126.45 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -122.38 137.2 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.761 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -125.65 125.55 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.604 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -120.68 140.62 51.35 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.751 0.657 . . . . 0.0 109.866 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--N 1.331 -0.213 0 O-C-N 123.224 0.328 . . . . 0.0 110.536 -174.467 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -129.57 138.55 51.36 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.314 0.383 . . . . 0.0 111.06 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -127.72 138.2 52.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.01 136.56 8.51 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.775 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 43' ' ' PHE . 7.7 tp -116.46 129.76 72.38 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.7 p -129.67 158.95 37.93 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.19 149.7 26.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.863 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.35 159.57 28.69 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 119.489 -1.339 . . . . 0.0 114.572 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.41 163.45 34.41 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.762 2.308 . . . . 0.0 113.641 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.783 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -134.27 155.04 50.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.519 -176.82 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.523 -0.091 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.5 mt -125.01 151.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.25 156.75 43.6 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.33 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.73 145.62 17.49 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.12 157.74 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 111.675 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.17 154.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.39 -176.88 37.32 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.374 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.38 138.76 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.31 139.48 11.08 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -128.11 147.0 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 110.456 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.466 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.711 0.291 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.26 142.05 34.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -135.99 159.65 41.03 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.094 0.473 . . . . 0.0 111.81 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.99 175.5 30.7 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.16 142.46 45.75 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.1 p -134.15 151.12 51.2 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.914 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -156.16 160.13 39.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 -176.81 48.21 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.436 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.78 159.05 43.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 110.715 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.32 162.42 28.42 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.4 mp -122.14 145.94 47.7 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -115.39 133.69 55.8 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.388 0.43 . . . . 0.0 110.568 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.485 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.08 153.7 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.816 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 124' ' ' ASP . 3.6 tt -127.83 140.09 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.464 ' N ' HD23 ' A' ' 123' ' ' LEU . 22.8 t70 -131.04 137.97 49.41 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.487 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 123' ' ' LEU . 87.0 m-85 -123.41 135.76 54.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.226 174.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.1 t -143.05 142.63 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.173 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -109.18 120.62 43.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.738 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.52 138.16 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.694 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -127.58 146.5 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.791 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.6 m -135.46 148.05 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.037 -176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -117.84 120.86 39.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.388 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.38 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 15.6 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.905 1.282 . . . . 0.0 114.417 -165.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 m 75.33 -10.87 1.17 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 170.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -102.48 131.87 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 118.627 0.648 . . . . 0.0 109.534 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.12 124.68 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.774 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.8 t -119.45 133.08 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 126.47 6.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.444 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.65 138.5 52.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 111.063 -176.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.52 137.9 44.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 10' ' ' ALA . 42.2 mm -118.91 125.45 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.38 132.9 30.33 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.13 -177.95 36.51 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.96 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 158.34 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.793 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.98 156.78 25.68 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.808 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -127.72 143.18 51.16 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -101.88 137.61 39.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.603 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.377 179.423 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.731 0.3 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -126.33 144.1 50.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.117 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.9 m -126.35 133.14 51.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.417 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.35 129.19 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.807 HG22 ' HA3' ' A' ' 145' ' ' GLY . 21.3 p -136.33 163.12 31.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.161 0.505 . . . . 0.0 110.964 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.35 150.83 22.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.29 170.02 33.86 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.759 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -128.69 144.2 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.405 -0.397 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.23 147.64 42.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.99 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -117.07 140.16 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 m -120.03 137.59 54.01 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.098 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -103.04 124.84 49.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -106.53 107.77 18.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 110.249 -175.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.91 121.96 28.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.461 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.35 61.74 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.652 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 95.6 mt-30 -116.29 169.25 9.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.827 0.814 . . . . 0.0 110.107 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.7 ttm -102.06 146.74 27.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 69.61 145.36 0.05 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.923 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.11 162.12 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.234 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -122.41 161.43 23.5 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.06 141.23 12.14 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.92 168.0 29.39 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.596 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -128.57 150.92 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -132.21 144.21 50.48 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.167 0.292 . . . . 0.0 110.975 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.57 137.06 54.43 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -129.13 144.23 51.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.207 0.527 . . . . 0.0 111.734 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -121.99 139.07 54.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.99 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -129.99 140.26 50.92 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.514 0.509 . . . . 0.0 111.557 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -129.47 138.57 51.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.462 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -133.08 148.09 52.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -97.32 146.49 25.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.531 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -103.42 -13.25 16.71 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -147.08 74.4 11.94 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.5 134.55 26.66 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.808 1.005 . . . . 0.0 113.032 -170.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.16 135.24 51.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.038 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 116.81 5.22 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.64 130.91 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.7 mt -123.93 130.81 73.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.74 129.82 7.63 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 t -128.12 137.05 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.945 0.402 . . . . 0.0 111.567 -173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -113.23 123.58 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -122.49 140.67 52.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.718 0.294 . . . . 0.0 111.265 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -129.24 130.38 46.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.504 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 m -130.78 142.04 50.38 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.224 0.327 . . . . 0.0 110.782 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.885 -178.557 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -155.98 160.9 40.46 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.754 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.98 154.52 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.562 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.29 137.33 8.89 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.943 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 tt -116.13 126.65 73.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.635 HG22 ' HA3' ' A' ' 84' ' ' GLY . 74.8 p -131.28 161.97 31.11 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.148 0.499 . . . . 0.0 111.472 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.05 147.41 29.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.391 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.68 136.37 5.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.711 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.31 163.06 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 CA-C-N 120.039 1.919 . . . . 0.0 111.519 168.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 80' ' ' TYR . . . -145.89 147.81 32.17 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.926 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 -178.697 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.972 0.415 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.2 mp -124.94 151.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.443 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 48.2 p90 -146.05 159.03 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.201 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.574 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -136.36 150.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.92 0.39 . . . . 0.0 111.415 -173.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.54 153.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.58 -177.5 38.52 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.846 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.05 137.36 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.15 134.8 10.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 133.25 55.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.746 -175.289 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -95.79 142.27 28.27 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -126.92 151.02 49.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 111.926 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.34 170.43 25.49 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -113.11 141.19 47.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.587 0.194 . . . . 0.0 110.602 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.2 m -132.34 145.77 51.5 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.791 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -153.27 161.03 42.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.691 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.74 -176.18 47.86 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.413 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.49 156.79 45.19 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.71 163.78 29.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.417 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 113' ' ' LEU . 4.9 mp -128.93 149.06 50.95 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -112.5 138.15 49.68 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.53 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.475 -178.656 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.109 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.48 150.58 48.77 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.704 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.8 mt -118.34 144.28 45.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.725 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -127.87 129.79 47.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.571 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -126.55 130.45 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.594 0.559 . . . . 0.0 109.559 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -143.02 157.09 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 111.187 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -112.94 126.27 55.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.446 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.92 137.71 54.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.096 0.474 . . . . 0.0 111.362 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -128.47 142.65 51.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.169 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.0 t -138.08 144.34 40.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.253 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -117.31 118.09 31.31 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.45 94.91 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 16.68 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -165.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t 73.57 -8.33 1.39 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.27 132.66 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 118.608 0.64 . . . . 0.0 109.536 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -103.96 122.17 44.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.492 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.95 126.15 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 120.28 4.4 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 t -134.05 143.95 48.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.369 0.585 . . . . 0.0 111.864 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -113.01 132.82 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.243 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.6 tt -126.0 138.77 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.948 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -135.32 141.9 45.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.569 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.89 175.85 29.69 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.121 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.59 149.84 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.807 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.9 159.51 26.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -132.23 143.11 49.7 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -94.97 140.71 29.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.343 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.2 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.595 178.411 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.711 0.291 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -134.2 153.04 52.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -131.2 133.41 45.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.52 135.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -141.04 160.87 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 111.365 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.21 150.86 21.52 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 109.173 -1.571 . . . . 0.0 109.173 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 170.06 32.29 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.146 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -122.52 144.3 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.808 -0.696 . . . . 0.0 109.698 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.32 150.91 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -114.24 140.05 48.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -112.04 125.53 54.18 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.612 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -101.56 125.59 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -111.92 107.91 17.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.569 . . . . 0.0 110.409 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -86.89 121.82 29.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.664 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.48 65.15 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.656 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 62.8 tt0 -116.3 153.05 32.63 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.666 0.733 . . . . 0.0 109.433 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 94.8 mmm -89.83 158.6 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 65.62 125.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -84.12 162.14 20.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.604 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.0 mtt -125.01 159.35 31.51 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.059 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.41 139.03 11.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.736 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -152.15 168.14 31.32 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.999 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -132.53 157.17 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -144.1 150.16 37.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.133 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.98 135.79 52.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -119.78 138.29 53.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 0.0 111.194 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.97 138.0 54.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.873 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -127.05 140.09 52.54 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.254 0.346 . . . . 0.0 111.213 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.14 136.27 55.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.36 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.86 146.29 50.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.77 0.319 . . . . 0.0 111.231 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.88 140.02 31.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.214 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.5 -45.27 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -104.08 -13.29 16.32 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -147.25 72.94 12.01 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.02 134.49 19.68 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 120.824 1.016 . . . . 0.0 113.388 -169.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.2 mt -126.32 135.15 51.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.86 116.76 5.2 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -173.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -126.06 130.63 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.567 HD11 ' CD1' ' A' ' 80' ' ' TYR . 46.0 pt -126.19 141.49 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.96 129.89 8.33 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -128.28 137.03 51.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 110.889 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -122.03 130.2 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 172.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.2 m -123.18 137.35 54.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -125.17 126.95 46.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.485 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.736 HG22 ' HA3' ' A' ' 23' ' ' GLY . 32.2 p -127.27 150.16 49.68 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.267 0.355 . . . . 0.0 110.212 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.904 -178.514 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.383 0.135 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -147.82 133.16 18.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -132.34 135.36 46.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.97 137.28 9.01 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.846 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -116.02 129.9 71.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -132.09 160.31 36.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.177 0.513 . . . . 0.0 111.468 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.15 147.83 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.944 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.03 139.09 6.84 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.156 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.43 163.19 34.84 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 CA-C-N 119.892 1.846 . . . . 0.0 111.852 167.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.82 152.51 51.15 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.2 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.528 0.204 . . . . 0.0 110.673 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.231 0.103 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.489 HD12 HD21 ' A' ' 113' ' ' LEU . 15.8 tt -124.96 151.65 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.711 -0.396 . . . . 0.0 109.943 -175.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 40' ' ' ILE . 48.9 p90 -147.65 159.08 44.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.044 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.65 17.62 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.22 152.15 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 111.343 -172.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.67 153.74 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.556 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.85 -177.92 38.97 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 119.871 -1.157 . . . . 0.0 112.187 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.03 142.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.99 155.0 21.41 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.567 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -117.51 135.13 54.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.756 -177.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -95.93 136.83 35.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.238 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.83 142.38 37.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.737 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -133.0 154.76 21.31 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -113.03 136.88 52.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -133.95 148.15 51.14 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.541 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -149.71 152.44 35.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.063 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -175.56 -176.01 43.46 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.721 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.45 158.43 43.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.75 158.43 27.67 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.771 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 79' ' ' ILE . 73.8 mt -130.54 146.25 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -121.23 140.32 52.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.542 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.399 177.649 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.26 37.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.366 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.52 141.53 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.05 135.1 46.24 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.359 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.63 145.02 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -143.08 155.14 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 111.152 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -111.73 119.47 38.76 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -122.55 138.01 54.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.06 0.457 . . . . 0.0 111.405 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -127.57 140.82 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.5 m -135.99 147.89 48.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -117.65 123.38 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.666 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.7 mt -127.41 94.86 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 14.87 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -164.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.9 m 75.17 -10.86 1.16 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.74 134.97 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 CA-C-N 118.499 0.59 . . . . 0.0 109.577 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.36 124.08 47.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.651 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.15 132.83 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 128.66 7.49 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.49 134.26 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.021 0.438 . . . . 0.0 111.218 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -110.61 128.22 55.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.301 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -119.79 130.55 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.699 0.285 . . . . 0.0 110.588 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.82 33.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.861 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.93 -179.69 33.95 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.174 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.63 146.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.91 167.02 25.78 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.833 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -130.35 143.09 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -105.1 140.75 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.598 179.138 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -122.91 147.42 46.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.055 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 m -127.92 133.2 49.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.466 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.47 130.25 72.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -141.0 157.01 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.465 . . . . 0.0 111.212 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 150.9 22.54 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.82 170.03 31.87 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.216 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -121.08 142.24 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.505 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 148.09 42.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.894 0.378 . . . . 0.0 111.543 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.52 140.18 49.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.187 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -119.18 137.83 53.35 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.902 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -117.08 139.01 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.17 114.73 16.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.909 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -76.41 121.94 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.515 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.13 -14.37 64.61 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.768 -175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -116.37 148.86 40.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.739 0.769 . . . . 0.0 109.483 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mtp -97.92 167.03 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 111.067 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.7 t30 70.53 120.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.917 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.07 153.61 42.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.899 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.1 156.3 35.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.516 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.47 141.99 13.11 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.07 168.06 31.26 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.252 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -120.85 148.89 43.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.125 -0.537 . . . . 0.0 109.675 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' HG23 ' A' ' 44' ' ' THR . 68.7 m-20 -128.95 138.64 52.1 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.013 0.196 . . . . 0.0 110.59 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.9 tp -127.2 135.92 51.33 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.38 143.32 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -173.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.05 137.12 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.518 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' NH2' HD11 ' A' ' 40' ' ' ILE . 26.4 ttm180 -132.63 140.1 48.04 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.832 0.349 . . . . 0.0 111.32 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -128.7 137.93 51.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.78 148.08 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 111.145 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -96.29 141.44 29.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.406 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.01 -45.11 86.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -103.56 -13.22 16.64 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -147.1 73.5 12.08 Favored Pre-proline 0 C--O 1.234 0.286 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.67 134.56 24.3 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 120.914 1.076 . . . . 0.0 113.226 -169.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -126.17 135.07 51.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 171.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.621 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.99 116.83 5.23 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.97 130.68 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.413 HD11 ' NH2' ' A' ' 29' ' ' ARG . 74.8 mt -128.78 130.94 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.653 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.08 129.59 8.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -128.22 137.25 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.537 0.198 . . . . 0.0 110.807 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.41 131.23 54.7 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' OD1' ' A' ' 25' ' ' ASN . 65.6 m -114.18 134.73 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -118.13 120.95 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.828 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.444 0.465 . . . . 0.0 110.706 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.071 -177.674 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.509 0.195 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -137.59 133.07 33.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.23 137.35 52.87 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.12 137.2 8.22 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.657 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.9 pt -115.98 136.98 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.822 0.311 . . . . 0.0 110.2 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.549 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.5 p -133.8 161.06 35.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 111.281 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.84 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.326 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.53 142.27 9.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.774 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.39 163.09 35.12 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 CA-C-N 119.749 1.774 . . . . 0.0 111.503 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.62 144.68 37.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.498 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -177.407 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.23 0.069 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.99 151.96 31.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.12 159.05 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.28 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.39 145.62 17.63 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.3 m -135.3 151.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.725 -171.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG22 ' HD2' ' A' ' 109' ' ' TYR . 57.7 t -126.58 153.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 170.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.549 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.41 175.32 39.68 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.247 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.07 139.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.19 155.08 21.49 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.49 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -128.08 146.94 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.779 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.43 ' OD2' HD11 ' A' ' 132' ' ' ILE . 34.6 t0 -95.97 121.08 37.34 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -116.59 147.23 42.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 158.75 26.98 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.15 143.95 43.5 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -134.11 145.42 49.31 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.575 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.54 ' HD2' HG22 ' A' ' 83' ' ' VAL . 64.5 t80 -140.68 147.9 39.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.89 178.88 43.91 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.892 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.39 159.08 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.15 175.49 36.08 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.569 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.534 ' N ' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -140.11 152.96 46.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 -179.454 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.479 HE21 ' HB3' ' A' ' 122' ' ' ALA . 62.6 tt0 -123.93 123.36 40.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.024 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.463 0.214 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.008 -176.14 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.461 0.088 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.494 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -127.18 155.39 43.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.446 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -114.62 140.14 49.06 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -122.29 127.02 49.35 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -125.87 135.89 52.45 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.511 0.507 . . . . 0.0 109.769 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.1 m -142.92 151.38 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -114.71 126.31 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -125.3 138.06 54.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.186 0.517 . . . . 0.0 111.466 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -130.36 135.74 48.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.8 t -140.53 148.03 40.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 0.0 111.206 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -114.48 124.57 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.677 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.522 HG23 ' HB ' ' A' ' 135' ' ' VAL . 13.5 tt -127.47 94.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 17.14 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -164.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.0 p 76.92 -13.46 0.94 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.522 ' HB ' HG23 ' A' ' 132' ' ' ILE . 45.1 t -102.19 131.18 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.499 0.591 . . . . 0.0 109.685 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.01 121.55 43.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.367 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.13 137.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.06 9.93 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.452 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 29.1 m -121.5 133.54 55.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.066 0.46 . . . . 0.0 111.262 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -108.54 121.93 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.501 HD13 ' N ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -127.99 137.08 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.204 0.525 . . . . 0.0 111.061 -174.572 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.501 ' N ' HD13 ' A' ' 141' ' ' ILE . . . -140.06 139.8 35.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.612 173.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.19 175.92 29.05 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.103 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.97 144.95 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.83 162.43 26.67 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.702 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -136.35 143.26 43.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.449 -0.375 . . . . 0.0 110.113 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -105.43 139.32 40.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.418 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.635 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.683 0.278 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -127.95 142.35 51.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.424 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.0 m -127.3 133.14 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.298 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.5 t -119.91 131.28 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -135.4 146.28 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.269 0.355 . . . . 0.0 110.965 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.81 22.61 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.11 170.21 36.16 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.071 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -124.55 144.12 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.14 149.15 44.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.297 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.6 140.12 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.533 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -122.73 146.29 47.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.269 . . . . 0.0 110.846 -175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -126.69 138.93 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.422 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -102.18 107.88 19.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.397 0.618 . . . . 0.0 110.018 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.13 121.89 20.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.807 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.98 -14.64 64.34 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.637 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -116.61 155.36 28.88 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.76 0.78 . . . . 0.0 110.11 169.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.04 97.77 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.301 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 51.4 p30 -176.06 164.83 2.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -135.07 150.85 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.439 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.1 mtp -132.64 152.59 51.62 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.451 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.33 134.33 7.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.45 168.05 28.52 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.825 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 26' ' ' LEU . 22.6 t80 -129.06 150.69 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 44' ' ' THR . 54.7 m-20 -131.73 137.81 48.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -123.07 135.99 54.64 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -138.96 153.11 48.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.48 0.657 . . . . 0.0 112.679 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -125.29 139.18 53.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.331 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HB2' HG22 ' A' ' 40' ' ' ILE . 28.2 ttp180 -129.5 140.1 51.36 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.478 0.486 . . . . 0.0 111.253 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.11 142.13 50.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -127.8 148.11 50.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -84.76 142.3 29.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.31 -45.14 77.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.0 -13.34 16.35 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -147.25 72.91 12.02 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.75 134.36 29.97 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.937 1.092 . . . . 0.0 113.118 -169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -126.21 135.1 51.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 168.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.9 116.66 5.18 Favored Glycine 0 C--N 1.333 0.407 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -174.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.55 130.67 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 29' ' ' ARG . 47.7 pt -128.25 142.23 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.738 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.33 129.92 7.76 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m -128.05 137.32 52.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.797 0.298 . . . . 0.0 111.158 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -111.57 124.28 51.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.63 HG23 ' OD1' ' A' ' 25' ' ' ASN . 86.2 m -112.26 131.25 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.64 128.43 45.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -140.0 156.87 46.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.985 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 CA--C 1.522 -0.111 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -140.05 133.51 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -135.99 157.01 47.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.26 137.21 7.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 65' ' ' ILE . 16.0 tt -116.06 126.02 73.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.539 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.6 p -132.51 162.64 30.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.41 148.42 33.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.595 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.38 135.0 4.89 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.403 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.44 163.27 34.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.983 1.891 . . . . 0.0 111.673 165.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -135.26 151.5 50.63 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.826 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.543 -179.355 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.462 0.128 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -125.06 151.59 30.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 66.8 m-85 -131.85 146.06 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.955 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.84 145.46 17.42 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.63 152.05 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.985 0.421 . . . . 0.0 111.748 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.77 153.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.338 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -172.75 -171.99 38.03 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.952 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -128.69 148.16 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.36 141.9 13.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.96 132.09 49.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -178.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.736 0.303 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -95.93 131.01 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.293 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -126.98 136.96 52.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.54 160.76 26.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -111.76 135.08 52.85 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.8 m -130.01 145.64 51.66 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.491 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -153.57 160.11 42.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.16 -176.85 48.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.761 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.35 159.13 44.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.9 166.89 30.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.2 mp -124.43 148.89 47.31 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -112.19 134.11 53.93 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 123.185 0.303 . . . . 0.0 110.44 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--N 1.332 -0.157 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.784 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.9 148.91 38.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.293 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.2 mm? -110.5 141.63 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -127.25 127.01 43.71 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.264 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.78 130.29 53.3 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 t -143.06 147.73 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -111.73 123.38 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.597 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -113.82 138.07 50.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 111.073 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -122.53 134.75 54.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.499 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -130.51 132.07 45.42 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -119.28 126.38 51.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 132' ' ' ILE . 11.2 tt -127.42 118.36 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -47.07 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.945 0.778 . . . . 0.0 112.77 -159.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 24.3 p 149.93 -54.24 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 125.396 1.685 . . . . 0.0 109.387 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.4 t -109.29 136.0 46.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -170.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.18 117.96 35.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.16 134.14 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.64 0.257 . . . . 0.0 110.395 -175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 134.02 9.95 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.484 HG22 ' HB1' ' A' ' 10' ' ' ALA . 31.8 m -132.16 136.03 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.272 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -110.07 127.12 54.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.0 tt -129.43 139.57 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 111.108 -176.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.1 142.81 36.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.671 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -154.75 -177.92 28.56 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.956 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 123' ' ' LEU . 34.5 m -133.12 150.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.61 159.34 26.81 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.656 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -137.33 143.14 41.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -112.65 139.14 48.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.729 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.489 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.461 0.092 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -129.01 151.02 50.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 m -129.78 133.13 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.16 130.14 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.8 t -141.03 160.23 40.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.33 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 150.89 22.51 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.42 170.05 31.62 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.119 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -125.45 144.31 50.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.767 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.25 149.94 44.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.874 0.368 . . . . 0.0 111.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -111.32 140.05 46.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.263 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 t -117.48 137.11 52.75 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.103 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -130.09 138.82 50.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -137.02 121.38 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.382 0.611 . . . . 0.0 111.01 -171.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -77.17 123.35 26.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.911 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.1 -14.17 60.0 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 123.894 0.746 . . . . 0.0 112.577 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 62.7 tt0 -116.13 151.75 35.02 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.741 0.771 . . . . 0.0 109.793 176.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -97.42 151.23 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.81 142.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.733 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -83.98 162.08 20.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.119 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.21 164.03 22.58 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.14 139.84 11.36 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.36 167.98 27.89 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.907 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -132.43 158.06 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 44' ' ' THR . 18.6 t-20 -140.28 140.32 35.69 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.469 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -124.98 139.45 53.81 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -129.77 147.16 51.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.212 0.529 . . . . 0.0 111.845 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.96 139.08 54.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.7 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -130.59 139.6 50.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 111.242 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -131.99 141.48 49.29 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.29 148.2 44.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -92.81 140.2 29.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.69 -45.0 84.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -101.25 -13.25 18.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -147.17 72.94 12.09 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 134.48 19.7 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.858 1.039 . . . . 0.0 113.427 -169.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 135.18 51.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.492 -1.231 . . . . 0.0 107.765 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.72 116.7 5.17 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 -173.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.17 130.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.0 131.06 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.408 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.75 129.89 8.65 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 p -128.14 137.13 51.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.991 0.396 . . . . 0.0 111.106 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -113.56 121.84 45.44 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 25' ' ' ASN . 71.2 p -111.93 136.57 51.08 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.346 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.69 124.01 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -124.81 139.12 54.13 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.599 0.562 . . . . 0.0 110.123 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.239 -175.058 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -124.44 133.7 53.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.968 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -131.69 134.82 46.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.96 137.05 9.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.956 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' ILE . 16.5 tt -116.34 127.24 74.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -140.02 159.23 42.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 111.271 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.9 39.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.413 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.597 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -149.32 140.67 8.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.725 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.36 163.23 34.94 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 CA-C-N 119.75 1.775 . . . . 0.0 111.5 168.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.27 150.6 52.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.731 0.301 . . . . 0.0 110.476 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--N 1.331 -0.202 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.524 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.46 0.074 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -124.98 151.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -148.05 156.31 42.49 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.178 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.6 145.58 17.02 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.597 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -135.04 153.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 111.559 -170.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.25 153.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.44 -172.04 37.16 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.834 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.5 146.58 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.44 14.32 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -119.92 140.39 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 177.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.688 0.28 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -96.06 144.82 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.064 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -136.03 154.17 51.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.116 0.484 . . . . 0.0 111.466 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.564 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -152.05 175.99 30.54 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 177.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -113.28 147.41 37.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.195 0.045 . . . . 0.0 111.026 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 96.4 p -134.06 148.77 51.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.011 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -149.84 153.79 37.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.333 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.78 -179.48 47.92 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.938 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.87 44.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.41 164.57 28.37 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.821 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -117.46 134.89 54.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.132 0.27 . . . . 0.0 110.547 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.331 -0.216 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.649 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.93 151.58 33.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 tt -115.47 135.28 54.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.022 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.58 129.42 53.76 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -131.07 130.05 42.73 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -143.09 155.34 44.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 111.804 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -109.44 131.19 55.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.485 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -127.08 138.06 53.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.45 141.36 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.3 t -143.91 148.07 34.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.411 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -111.35 122.86 48.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.43 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.564 HD13 ' HA3' ' A' ' 106' ' ' GLY . 44.0 mm -127.26 94.88 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 16.69 95.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -164.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 75.4 -12.18 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -104.2 133.0 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 118.553 0.615 . . . . 0.0 109.709 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -104.01 119.67 39.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.187 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.8 p -121.21 136.96 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 110.951 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.19 134.0 9.89 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -130.3 144.04 51.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.13 0.465 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -111.75 126.86 55.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -116.56 126.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.41 137.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.823 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.07 -177.94 34.61 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.908 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.75 150.94 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.68 169.0 26.68 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.051 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -134.58 143.18 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -108.84 143.27 38.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.0 110.91 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.482 179.476 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -120.91 146.29 46.78 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 m -129.74 133.23 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.394 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -122.85 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 20.5 p -139.72 166.3 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.256 0.551 . . . . 0.0 110.841 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 150.8 22.65 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.94 167.96 32.29 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -123.21 143.76 49.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.787 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.31 145.85 39.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -121.47 140.08 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.1 p -124.04 146.05 48.81 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.002 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -122.34 130.41 53.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.931 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.192 0.52 . . . . 0.0 110.25 -175.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.14 121.88 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.472 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.58 -14.41 61.99 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.641 -173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 54.1 tp60 -116.37 147.67 41.39 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 117.655 0.728 . . . . 0.0 109.322 172.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.88 160.07 17.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 66.61 142.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.925 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -92.21 162.12 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.337 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mtp -122.41 159.5 27.41 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.32 141.84 13.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.94 168.19 32.87 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.568 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.86 156.38 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' A' ' 44' ' ' THR . 75.9 m-20 -134.47 141.34 46.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.029 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.97 135.92 54.66 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -124.56 139.46 53.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.138 0.494 . . . . 0.0 111.411 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -122.03 139.12 54.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.608 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -128.15 140.04 52.15 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.927 0.394 . . . . 0.0 111.57 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.14 139.77 53.1 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.246 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -139.62 148.09 41.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.35 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -88.91 146.67 24.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.384 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.42 -45.01 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -101.25 -13.24 18.16 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 72.89 12.12 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.05 134.56 19.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 120.925 1.083 . . . . 0.0 113.422 -171.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -126.19 135.29 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 170.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.72 5.18 Favored Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.99 130.72 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -123.99 131.01 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.541 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.3 129.91 8.72 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -128.08 137.04 51.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.49 127.54 54.51 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 25' ' ' ASN . 47.7 m -113.63 130.33 56.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.655 0.264 . . . . 0.0 110.368 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -123.12 120.85 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -130.35 146.6 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.425 . . . . 0.0 111.258 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.37 179.475 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 N--CA 1.463 0.185 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -130.9 137.04 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.652 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -122.98 136.89 55.03 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.39 134.49 7.63 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.612 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' ILE . 16.0 tt -116.25 125.86 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.604 HG22 ' HA3' ' A' ' 84' ' ' GLY . 76.2 p -131.65 160.12 36.34 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.069 0.461 . . . . 0.0 111.42 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.11 147.41 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.24 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 142.09 9.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.834 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.3 163.07 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 119.835 1.818 . . . . 0.0 111.566 168.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -141.55 143.18 33.62 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.626 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 66.5 t80 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.449 -177.094 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--O 1.231 0.099 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 tt -133.53 151.77 33.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.401 ' HH ' ' HG ' ' A' ' 126' ' ' SER . 48.6 p90 -148.09 158.85 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.84 145.61 17.24 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.806 -1.317 . . . . 0.0 109.806 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.575 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.4 m -136.32 152.61 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.351 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.34 153.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.604 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -167.13 -177.88 39.1 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.992 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -125.98 138.81 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 138.16 12.12 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -122.34 137.84 54.72 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.381 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.791 0.329 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -98.89 145.1 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.83 154.35 51.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.049 0.452 . . . . 0.0 111.598 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.67 168.68 30.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.16 142.64 45.53 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.5 p -134.08 148.87 51.08 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.73 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -155.84 162.26 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.761 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.46 -178.81 47.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.68 158.39 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -156.2 174.41 34.06 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.836 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.29 147.04 50.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.328 . . . . 0.0 110.238 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -125.0 127.34 46.85 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.365 0.415 . . . . 0.0 110.088 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.198 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.859 0.362 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.02 155.61 26.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.354 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.5 mp -121.77 146.02 47.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -133.25 138.84 46.64 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.581 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.31 142.87 39.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.831 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.401 ' HG ' ' HH ' ' A' ' 80' ' ' TYR . 8.9 m -143.12 157.0 44.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.72 122.95 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.71 137.99 52.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.205 0.526 . . . . 0.0 111.652 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -131.96 139.42 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.201 174.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -136.36 145.04 44.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.829 0.347 . . . . 0.0 110.784 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -116.97 121.01 40.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -127.42 94.76 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 14.74 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -164.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.6 m 73.14 -7.6 1.47 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.79 134.53 43.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.596 0.635 . . . . 0.0 109.35 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -104.08 120.98 42.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.36 133.13 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.14 129.12 7.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.67 134.27 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.081 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -107.69 131.14 54.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.34 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 10' ' ' ALA . 2.7 pp -123.94 139.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.06 137.19 29.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.612 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.54 179.24 32.53 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.877 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.93 156.43 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -142.24 157.97 26.7 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.668 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -131.94 143.05 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -109.16 141.22 41.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.574 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.548 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.669 0.271 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -129.42 144.22 51.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.2 p -128.32 133.27 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.347 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.36 127.92 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -134.27 148.89 50.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.87 22.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.38 170.02 34.45 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.0 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -126.49 144.29 50.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.969 -0.615 . . . . 0.0 109.998 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.01 144.79 39.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.045 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -116.8 140.09 49.83 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -120.19 139.73 52.2 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.065 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -110.9 139.08 46.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.185 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -103.07 107.89 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.377 0.608 . . . . 0.0 110.079 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -84.16 121.9 28.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.973 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 -14.63 59.22 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.624 -174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.635 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 63.3 tt0 -116.55 149.11 40.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 117.697 0.748 . . . . 0.0 109.59 170.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.14 97.79 9.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.251 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.64 158.01 1.0 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.083 0.468 . . . . 0.0 111.017 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -130.61 146.85 52.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.303 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -131.27 158.15 41.38 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.79 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.34 138.78 9.27 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.97 165.28 29.74 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.894 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.19 154.23 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -144.09 150.1 37.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.805 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.3 mt -123.81 136.55 54.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.437 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -120.37 139.35 52.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 111.225 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -121.9 139.09 54.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.769 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -132.46 140.12 48.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.426 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -119.64 141.92 48.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.371 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -132.54 145.27 51.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.346 . . . . 0.0 111.155 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -100.71 140.28 35.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.8 -45.17 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.17 -13.37 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -147.23 72.92 12.04 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.95 134.5 19.81 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 120.841 1.027 . . . . 0.0 113.349 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -126.13 135.16 51.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.792 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.89 116.84 5.23 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 119.863 -1.16 . . . . 0.0 110.281 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.96 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.5 mt -123.97 131.04 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.61 129.9 7.69 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -128.02 137.0 52.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.883 0.373 . . . . 0.0 111.364 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -112.56 123.28 49.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 m -118.38 136.31 53.82 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.089 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -120.07 122.9 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.105 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -126.93 143.7 51.21 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.101 0.25 . . . . 0.0 110.7 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.914 -178.15 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 CA--C 1.522 -0.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.11 157.24 42.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.347 0.594 . . . . 0.0 112.212 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.21 140.64 52.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.597 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 136.08 9.1 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.605 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.29 126.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p -129.84 157.6 41.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.06 0.457 . . . . 0.0 111.159 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.21 144.97 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.525 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -158.33 149.51 19.82 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.713 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 163.28 34.46 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.123 1.882 . . . . 0.0 112.382 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.792 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.51 154.98 47.8 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.777 0.322 . . . . 0.0 110.412 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.332 -0.185 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 113' ' ' LEU . 48.5 pt -130.64 151.93 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -147.9 158.95 44.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.379 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.61 145.39 16.77 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.525 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.5 m -137.39 156.61 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.523 -171.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.0 t -137.26 153.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.2 -176.39 37.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.943 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.96 148.81 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.04 140.05 11.43 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -117.12 130.81 56.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 -177.017 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.725 0.297 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.85 130.26 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.213 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -112.91 139.34 48.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.156 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.39 156.61 24.12 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -113.1 141.35 47.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.475 0.138 . . . . 0.0 110.634 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.2 m -134.07 149.83 51.16 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.229 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -154.0 159.39 41.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.79 47.68 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.571 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.9 159.61 41.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.69 158.25 27.61 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.734 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' ILE . 68.3 mt -121.55 142.19 50.33 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -113.29 132.51 55.53 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.12 0.262 . . . . 0.0 110.377 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.221 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 146' ' ' TYR . 34.6 m . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.74 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.7 mt -113.9 141.39 47.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.97 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -123.33 126.97 47.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -121.64 129.38 52.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -142.93 144.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.466 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -112.44 120.28 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.468 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -124.91 138.11 54.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 111.405 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -126.41 148.66 49.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.548 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.2 p -140.75 148.2 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -116.04 125.34 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.902 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.44 94.93 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 16.38 95.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -165.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 m 75.43 -11.65 1.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.342 170.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -104.05 133.19 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 118.667 0.667 . . . . 0.0 109.358 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -104.05 127.79 51.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.626 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.24 131.01 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.13 128.7 7.48 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 8.9 t -134.1 144.07 48.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 111.405 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -107.98 134.03 51.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.517 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.474 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -118.16 128.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.48 136.8 38.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.806 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.52 -179.4 31.49 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.007 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.94 149.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.01 26.45 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.057 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.482 ' CE1' HG12 ' A' ' 121' ' ' VAL . 77.1 m-85 -123.33 143.06 50.34 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -111.91 135.88 51.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.301 . . . . 0.0 110.634 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.533 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.779 0.323 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -123.97 140.49 52.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.405 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 147' ' ' ARG . 66.0 p -129.47 133.33 47.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.317 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.05 130.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 23.5 p -138.78 168.21 20.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.186 0.517 . . . . 0.0 110.977 -176.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 150.7 22.48 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 169.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.56 169.47 33.92 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.844 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -124.51 144.35 50.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.975 -0.613 . . . . 0.0 110.319 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.1 147.37 41.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -125.71 140.11 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.463 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 m -122.38 140.01 53.18 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.854 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -122.47 139.05 54.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.24 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.11 108.0 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.325 0.583 . . . . 0.0 110.291 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -80.5 121.88 26.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.04 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.35 -14.51 54.33 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.746 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 69.0 tp60 -116.42 145.17 43.46 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.621 0.71 . . . . 0.0 109.612 172.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.4 mtp -87.14 98.02 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.997 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -171.4 137.09 1.06 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.223 0.535 . . . . 0.0 111.817 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -134.96 134.16 40.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.1 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.4 mtm -132.62 150.74 52.11 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.715 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.42 135.4 8.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.683 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.94 168.23 30.01 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.387 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.34 155.66 38.35 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -144.05 150.12 37.71 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.754 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.9 mt -123.84 145.98 48.7 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.25 135.88 51.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.46 . . . . 0.0 111.214 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -121.96 139.18 53.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.544 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HG2' HG22 ' A' ' 40' ' ' ILE . 79.5 mtp180 -118.99 140.2 50.4 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.361 0.413 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -126.51 137.19 53.34 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.165 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -131.03 148.15 52.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 111.68 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -96.55 145.32 25.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.424 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -45.12 66.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.19 -13.3 16.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -147.15 79.28 9.95 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 134.44 31.91 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 120.708 0.939 . . . . 0.0 113.013 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.26 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.009 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.76 5.19 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.88 131.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 109.922 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 29' ' ' ARG . 30.6 pt -123.92 137.14 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.049 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.49 129.9 7.91 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 t -128.13 136.98 51.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -116.48 126.1 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 m -121.14 135.63 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.52 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -126.72 125.75 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.683 HG22 ' HA3' ' A' ' 23' ' ' GLY . 67.5 p -125.32 148.88 48.54 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.424 . . . . 0.0 110.206 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.93 -178.598 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 . . . . . 0 N--CA 1.463 0.216 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.36 139.34 51.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -133.9 138.67 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.61 137.15 8.95 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.616 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.7 tt -116.24 131.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.6 p -131.51 159.22 38.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.053 0.454 . . . . 0.0 111.347 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.88 145.76 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.454 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 138.5 6.55 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.174 -1.013 . . . . 0.0 112.887 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.3 163.09 35.33 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 CA-C-N 119.973 1.886 . . . . 0.0 111.492 168.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.39 153.48 42.73 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.008 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--N 1.332 -0.194 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.46 0.061 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.0 mt -124.91 151.77 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -146.07 157.08 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.181 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.9 145.68 17.64 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.454 HG12 ' HA3' ' A' ' 68' ' ' GLY . 30.8 m -136.4 150.54 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.154 0.477 . . . . 0.0 111.649 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.655 HG12 ' CD2' ' A' ' 109' ' ' TYR . 34.3 m -135.5 153.9 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.89 -177.8 39.96 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.343 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.49 139.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.04 140.47 11.92 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -128.07 147.02 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.642 0.258 . . . . 0.0 110.473 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.516 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.182 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -108.52 139.05 43.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -136.09 155.42 50.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.35 . . . . 0.0 111.329 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.54 166.37 31.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.12 142.93 45.19 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 m -128.38 143.69 51.04 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.216 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.655 ' CD2' HG12 ' A' ' 83' ' ' VAL . 24.2 m-85 -140.89 149.13 41.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.625 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.28 179.3 45.71 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.211 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.46 153.17 39.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.7 168.13 28.06 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.16 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 140.43 52.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.22 131.81 54.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.587 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 C--N 1.332 -0.165 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.797 -179.785 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.37 37.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.991 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.7 mp -116.62 140.53 49.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -177.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -122.55 127.56 49.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.386 0.429 . . . . 0.0 110.172 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.04 131.64 50.89 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.535 0.522 . . . . 0.0 109.648 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.0 t -143.16 153.34 42.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.042 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -109.93 122.07 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 139' ' ' THR . 45.2 tp10 -116.97 136.51 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -127.91 139.1 52.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.9 m -131.85 146.3 52.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -114.27 122.8 47.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.639 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.456 HD12 HG21 ' A' ' 137' ' ' VAL . 75.9 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 13.32 95.25 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -164.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m 74.78 -9.66 1.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.8 t -104.03 135.63 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 118.514 0.597 . . . . 0.0 109.552 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -102.4 122.27 43.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.53 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.456 HG21 HD12 ' A' ' 132' ' ' ILE . 44.7 t -114.21 131.37 66.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 123.05 5.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 128' ' ' GLU . 9.2 t -134.09 143.45 48.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -115.67 135.93 53.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.638 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.578 HG22 ' HB2' ' A' ' 10' ' ' ALA . 46.7 pt -116.33 137.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.41 134.42 29.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.456 173.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.72 173.84 32.36 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.249 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.0 t -129.41 145.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.93 158.14 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.785 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -133.6 143.05 48.4 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 4' ' ' THR . 27.4 ptt180 -125.62 144.45 50.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 0.0 111.319 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.462 178.643 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.292 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -124.35 141.68 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.374 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 m -129.39 133.09 47.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.06 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.13 133.34 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -139.69 154.8 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.781 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.71 150.87 22.0 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.78 170.04 31.85 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.134 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -119.92 144.13 47.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.583 . . . . 0.0 109.545 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.18 146.77 40.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.832 0.349 . . . . 0.0 111.252 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -121.21 140.15 52.42 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -118.54 137.76 53.0 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.814 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -111.51 139.04 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.334 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.85 107.97 19.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.238 0.542 . . . . 0.0 109.987 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -84.78 121.82 28.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.969 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.31 -14.71 60.27 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.68 -174.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.624 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 50.9 tt0 -116.5 144.95 43.69 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 117.683 0.742 . . . . 0.0 109.472 170.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.1 mtt -94.09 97.78 10.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.323 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.46 155.37 0.86 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.018 0.437 . . . . 0.0 111.093 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -130.99 146.41 52.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.497 173.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.0 mtp -132.65 158.57 41.95 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.968 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.14 141.18 12.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.25 168.15 31.94 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.9 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -128.35 150.72 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' A' ' 44' ' ' THR . 87.0 m-20 -125.75 139.49 53.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.475 0.179 . . . . 0.0 111.391 -176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.0 mt -122.89 137.21 55.0 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -128.55 146.57 50.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 112.039 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -121.86 139.04 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.765 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -120.96 139.32 53.42 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.295 0.372 . . . . 0.0 110.913 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -129.55 141.72 50.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -140.07 145.96 38.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.707 0.289 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -97.74 141.57 30.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.184 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -68.48 -45.04 73.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -104.18 -13.41 16.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -147.29 74.28 11.76 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.12 134.52 19.54 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 120.927 1.085 . . . . 0.0 113.497 -170.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.13 135.22 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.77 116.61 5.15 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 119.7 -1.238 . . . . 0.0 110.125 -171.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.96 130.73 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -123.89 131.82 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.4 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.8 129.86 8.88 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -127.94 137.09 52.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.987 0.394 . . . . 0.0 111.296 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -112.29 127.88 56.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.587 HG23 ' OD1' ' A' ' 25' ' ' ASN . 58.1 m -113.82 129.64 56.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.38 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -118.72 120.97 39.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -127.14 146.24 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.177 0.298 . . . . 0.0 110.559 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.234 0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.287 -176.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.46 0.058 0 CA-C-O 120.547 0.213 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -133.68 132.22 40.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -128.21 138.94 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.5 137.01 8.95 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.555 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.3 t -140.11 160.18 40.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.039 0.447 . . . . 0.0 111.753 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.78 151.71 37.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.328 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.592 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.4 135.61 5.29 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.035 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.38 163.22 34.89 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 CA-C-N 120.057 1.928 . . . . 0.0 111.992 167.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 80' ' ' TYR . . . -109.0 153.96 22.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.677 0.275 . . . . 0.0 110.811 178.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--N 1.333 -0.14 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.859 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.7 mt -124.84 151.7 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.818 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 66.3 m-85 -134.06 147.92 50.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.91 145.38 17.37 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' HA3' ' A' ' 68' ' ' GLY . 29.6 m -138.49 154.1 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.597 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.11 153.65 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 170.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.89 -178.59 39.45 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.865 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.35 140.69 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.44 148.96 18.86 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -128.07 144.24 51.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.321 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.109 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -98.77 139.27 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.514 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -136.06 155.12 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.02 32.84 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.08 142.98 45.11 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.9 m -133.99 147.69 51.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.972 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -152.85 161.39 42.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.0 -177.14 47.71 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.563 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.8 43.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.589 0.233 . . . . 0.0 110.543 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.3 161.55 27.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.552 -178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.2 mp -125.3 152.91 44.05 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -109.89 139.23 45.2 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.785 177.126 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 140.95 48.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 144' ' ' VAL . 18.0 tp -116.24 132.82 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.66 134.49 53.74 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.482 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.425 ' HE1' HD23 ' A' ' 123' ' ' LEU . 96.4 m-85 -127.79 138.78 52.85 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.933 0.771 . . . . 0.0 109.536 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.449 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.5 m -142.98 157.02 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.109 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -109.97 121.65 45.73 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -116.31 134.38 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.008 0.432 . . . . 0.0 111.306 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -130.09 141.26 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.288 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -137.96 146.34 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -118.85 123.21 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.797 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.6 mt -127.49 94.88 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 15.06 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -165.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t 74.45 -9.06 1.36 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.88 134.46 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.11 129.43 51.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.673 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.0 t -120.06 135.11 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 123.99 5.72 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.418 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.4 m -125.55 133.86 52.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.39 132.51 54.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.375 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.911 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 pt -121.99 141.51 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.278 0.561 . . . . 0.0 111.118 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 138.23 29.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.425 172.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.08 178.49 36.12 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.155 -1.022 . . . . 0.0 112.168 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 123' ' ' LEU . 35.8 m -133.19 151.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.67 162.68 26.98 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.89 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -136.9 143.08 42.78 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -119.08 145.59 45.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.122 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.763 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.494 HG21 ' NH2' ' A' ' 147' ' ' ARG . 66.0 p . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.699 0.285 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -126.32 148.57 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.206 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -127.56 133.24 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.86 127.99 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.64 HG23 ' C ' ' A' ' 144' ' ' VAL . 7.1 m -137.49 146.65 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.245 0.341 . . . . 0.0 110.483 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 150.86 21.44 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.17 170.1 33.8 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.747 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -124.4 144.23 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.164 -0.518 . . . . 0.0 109.698 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 144.38 38.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.28 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -118.53 140.04 50.51 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -119.76 138.56 53.25 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.993 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -103.49 139.02 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.67 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -117.68 107.93 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -173.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -86.25 121.86 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.573 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.51 59.48 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.726 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.67 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.8 tp60 -116.48 145.33 43.38 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 117.611 0.705 . . . . 0.0 109.221 171.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -88.0 160.43 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 71.45 141.86 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.964 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -90.93 162.08 14.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.071 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -123.43 153.07 40.94 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.552 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.96 138.61 10.04 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.01 168.18 32.37 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.199 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.65 153.49 39.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.627 ' C ' HD22 ' A' ' 26' ' ' LEU . 65.5 m-20 -134.48 141.14 46.66 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.07 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.86 135.97 54.7 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.72 140.91 51.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.143 0.497 . . . . 0.0 111.968 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -127.63 139.16 52.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.705 175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.11 140.33 39.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.837 0.351 . . . . 0.0 111.764 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -122.99 141.95 51.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -122.13 145.88 47.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -96.49 139.89 31.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.375 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -66.93 -45.07 78.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -173.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.1 -13.33 16.3 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.03 134.39 36.79 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.765 0.977 . . . . 0.0 113.075 -169.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 tp -126.27 135.29 51.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.234 171.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.563 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.74 116.71 5.18 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -175.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.92 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 80' ' ' TYR . 71.3 mt -124.05 130.81 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.36 129.98 6.44 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -126.3 137.11 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.931 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -106.59 124.31 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' CG ' ' A' ' 25' ' ' ASN . 49.6 p -114.02 134.57 54.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -175.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -127.82 120.97 28.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 18.4 p -128.72 154.47 46.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.847 0.356 . . . . 0.0 110.329 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.942 178.497 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -132.16 127.47 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.22 0.325 . . . . 0.0 110.547 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -121.76 137.64 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.75 135.14 7.52 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.749 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.524 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.31 133.6 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.268 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -140.21 159.24 42.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.029 0.442 . . . . 0.0 111.467 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.69 150.59 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.482 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.86 156.7 28.27 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.247 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.36 163.37 34.67 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.656 2.237 . . . . 0.0 113.321 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -128.45 155.05 45.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.193 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.231 0.127 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.688 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.461 0.094 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -124.98 151.6 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 40' ' ' ILE . 43.5 p90 -148.15 158.66 44.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.388 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.63 145.66 17.12 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.76 157.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.396 0.598 . . . . 0.0 111.723 -171.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 109' ' ' TYR . 42.0 t -131.96 153.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.8 178.86 37.5 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.091 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.61 144.72 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.59 150.9 19.8 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.801 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -123.73 135.03 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 178.458 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.768 0.318 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -95.99 136.12 36.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.386 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -116.89 140.27 49.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.561 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.61 156.12 24.55 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.469 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.13 144.18 43.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -130.54 144.56 51.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.685 0.279 . . . . 0.0 111.378 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.475 ' HD2' HG22 ' A' ' 83' ' ' VAL . 40.1 t80 -142.14 144.55 33.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.419 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.22 179.33 43.89 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.35 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.86 159.14 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.26 158.33 27.44 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.688 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.82 139.84 53.58 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -112.69 131.78 55.49 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.117 0.261 . . . . 0.0 110.308 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.588 -179.773 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.231 0.083 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.08 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.393 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -111.34 140.56 45.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -125.41 126.98 45.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.43 132.57 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -135.77 149.34 49.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.128 0.49 . . . . 0.0 111.61 -176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.89 118.85 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -118.99 134.69 55.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.029 0.443 . . . . 0.0 111.287 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.81 135.16 52.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -131.22 145.37 51.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -117.97 122.23 42.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.578 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.0 mt -127.41 94.77 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 15.11 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 74.75 -9.92 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 171.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.4 t -103.45 134.57 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 118.485 0.584 . . . . 0.0 109.663 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -103.95 127.65 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.779 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -121.02 133.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 124.49 5.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.526 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.2 m -123.22 137.29 54.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.051 0.453 . . . . 0.0 111.305 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -108.38 122.13 46.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.368 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.485 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.4 mt -116.2 128.69 73.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.47 138.74 34.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.096 174.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.71 -178.03 35.28 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.674 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.64 ' C ' HG23 ' A' ' 6' ' ' THR . 35.5 m -137.63 153.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.9 165.8 28.02 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.837 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -133.15 143.2 49.07 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.494 ' NH2' HG21 ' A' ' 2' ' ' THR . 66.9 ttt180 -99.32 139.32 35.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -177.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.986 178.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.769 0.319 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -129.49 151.81 49.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.438 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.7 m -131.0 133.17 45.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.61 132.61 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -141.05 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.87 151.0 23.0 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.95 170.05 32.55 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.888 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -125.17 144.17 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.246 -0.477 . . . . 0.0 109.817 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.16 146.54 40.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.169 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -114.18 140.1 48.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.361 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 m -118.79 140.34 50.11 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.957 -174.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -113.14 138.49 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.238 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.73 107.95 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.208 0.528 . . . . 0.0 110.222 -175.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -82.97 121.83 27.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.922 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -14.58 60.89 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.73 -175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.601 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.0 tp60 -116.59 141.33 48.33 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.602 0.701 . . . . 0.0 109.431 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.3 mtm -91.59 97.81 11.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.35 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -177.6 152.97 0.84 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 111.37 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -124.82 143.68 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.9 mtm -132.41 158.65 41.45 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.219 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.0 136.39 7.51 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.72 168.03 29.27 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.601 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.56 153.51 40.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.626 ' C ' HD22 ' A' ' 26' ' ' LEU . 58.8 t30 -131.55 138.67 49.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.197 -175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 135.87 54.66 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -134.23 139.17 45.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.047 0.451 . . . . 0.0 111.48 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.96 136.37 54.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.963 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -138.04 140.21 39.97 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 0.0 111.072 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -131.11 142.03 50.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.823 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -131.15 147.71 52.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -93.28 141.37 28.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.545 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.17 -45.14 77.87 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -103.85 -13.32 16.44 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 p -147.11 75.54 11.61 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.1 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 120.874 1.049 . . . . 0.0 113.418 -168.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.0 tp -126.26 135.1 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.03 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.778 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.95 116.82 5.23 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -175.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.89 130.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.596 HD11 ' CG1' ' A' ' 82' ' ' VAL . 41.9 pt -130.34 144.6 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.08 130.01 5.93 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -126.82 137.17 53.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -117.26 126.75 53.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -122.76 143.38 49.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.581 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -131.69 128.5 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.475 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.9 m -129.13 145.93 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.114 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.321 0.105 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -134.44 131.5 38.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.343 0.402 . . . . 0.0 110.415 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -128.98 143.52 50.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.86 137.2 8.28 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.668 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -116.14 127.56 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -130.76 160.54 34.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.044 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.55 157.79 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.571 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.01 163.02 30.36 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.469 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.37 163.32 34.74 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.758 2.305 . . . . 0.0 113.627 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.778 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.73 151.75 50.47 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.607 -175.317 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.467 HD12 HD21 ' A' ' 113' ' ' LEU . 16.0 tt -132.15 151.71 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -145.82 153.24 40.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.064 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.06 145.7 17.53 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.596 ' CG1' HD11 ' A' ' 40' ' ' ILE . 34.7 m -141.06 157.63 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.065 0.459 . . . . 0.0 111.693 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.5 153.72 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.18 -176.05 37.08 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.944 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.78 143.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.03 154.56 21.22 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.307 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -125.87 145.48 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.555 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.92 146.37 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -134.04 156.85 47.49 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 111.635 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -147.25 168.79 28.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.16 145.53 40.8 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 t -134.06 144.14 48.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.269 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -146.51 151.31 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.027 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.13 47.82 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.975 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.62 154.65 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.27 166.65 28.06 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.763 -176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.467 HD21 HD12 ' A' ' 79' ' ' ILE . 73.5 mt -130.4 155.05 47.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.81 141.36 52.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.719 0.295 . . . . 0.0 110.805 178.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.112 -178.747 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.231 0.12 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.89 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.436 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -112.3 142.06 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -131.13 139.71 49.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.449 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.33 144.61 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.91 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.6 t -143.19 152.58 41.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 111.049 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -105.8 114.91 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -114.19 138.07 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -133.2 140.84 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.755 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -133.57 147.43 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 111.011 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -117.08 120.09 37.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.555 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -127.46 94.83 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 16.49 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -165.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 p 73.35 -8.57 1.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.34 132.35 51.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.659 0.663 . . . . 0.0 109.335 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.94 122.43 45.18 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.632 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -113.82 132.76 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 125.74 6.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.561 HG22 ' HB1' ' A' ' 10' ' ' ALA . 39.1 m -128.76 133.85 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.257 -176.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -109.84 128.78 55.55 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -126.25 137.12 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 111.132 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -138.65 144.69 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.714 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.89 -177.94 33.44 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.65 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.26 147.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.03 164.16 26.52 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.633 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -136.46 143.2 43.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -118.3 143.98 46.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 111.08 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.884 179.685 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.3 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -127.64 141.97 51.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.0 m -128.53 133.16 48.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.138 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.26 134.45 66.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 144' ' ' VAL . 3.8 m -134.03 147.4 50.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 150.89 20.46 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.35 170.19 34.46 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.236 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -121.38 143.57 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.83 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 111.321 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -117.36 140.12 49.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.441 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -116.81 131.13 57.03 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.806 -174.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -108.8 139.04 44.18 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -119.34 107.99 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 110.747 -173.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -84.67 121.82 28.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.741 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.37 -14.69 58.84 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.663 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.653 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.46 147.67 41.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.664 0.732 . . . . 0.0 109.27 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 93.1 mmm -89.58 164.92 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.966 0.412 . . . . 0.0 111.107 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 68.0 116.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.342 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -80.62 162.23 24.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.041 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.416 ' HB3' HG22 ' A' ' 46' ' ' THR . 80.4 mtp -133.18 164.02 27.98 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.745 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.84 142.61 13.81 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.58 167.06 28.67 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.39 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.99 150.1 41.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.131 -0.534 . . . . 0.0 109.631 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.49 136.97 53.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.816 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD13 ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -122.86 135.99 54.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' HD13 ' A' ' 26' ' ' LEU . 49.8 tttm -129.7 135.77 48.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 111.753 -171.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -126.34 137.83 53.51 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -136.33 140.08 43.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -126.57 141.7 51.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.455 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -131.93 146.63 52.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.27 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.3 146.07 24.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.144 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.62 -45.22 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -104.29 -13.29 16.21 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -147.23 76.73 11.07 Favored Pre-proline 0 C--O 1.234 0.263 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.5 134.4 28.43 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.709 0.939 . . . . 0.0 113.197 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -126.35 134.93 50.94 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 170.272 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' HD13 ' A' ' 37' ' ' LEU . . . -92.86 116.72 5.19 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 119.751 -1.214 . . . . 0.0 110.207 -174.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.69 130.74 73.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 80' ' ' TYR . 47.3 pt -129.66 142.76 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.78 129.98 7.26 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -127.99 137.03 52.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.49 127.97 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.9 m -120.13 133.09 55.6 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.5 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -122.08 122.79 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 21' ' ' MET . 58.7 m -125.4 139.44 53.66 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.43 0.456 . . . . 0.0 110.315 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 . . . . . 0 C--N 1.331 -0.211 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -174.735 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.184 0.04 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -149.45 155.59 40.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.214 0.53 . . . . 0.0 111.703 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.41 143.7 51.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.93 135.46 8.49 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.0 mt -116.26 125.83 73.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -140.13 160.02 40.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.026 0.441 . . . . 0.0 111.578 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.46 154.63 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.359 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.56 140.39 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.099 -1.048 . . . . 0.0 112.902 -177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 163.09 35.04 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 CA-C-N 119.697 1.749 . . . . 0.0 111.595 166.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.87 152.78 41.59 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.166 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.2 t80 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.613 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.58 ' O ' HD12 ' A' ' 113' ' ' LEU . 88.3 p . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.04 151.63 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 40' ' ' ILE . 49.2 p90 -148.0 157.42 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.885 176.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -134.04 145.66 17.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.514 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.2 m -136.14 151.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 111.416 -172.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.85 153.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.54 39.18 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.028 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -129.99 139.88 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.37 137.54 10.71 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.04 138.55 52.62 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -176.727 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.461 0.116 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -95.93 132.72 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -134.66 155.53 50.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.122 0.487 . . . . 0.0 112.144 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.53 171.7 30.35 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.04 143.57 44.09 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.2 m -131.98 146.68 52.24 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.23 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -147.24 151.34 36.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.929 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.75 -178.33 44.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.847 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.03 157.91 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.24 161.61 28.5 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.82 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 78' ' ' SER . 14.6 tp -127.48 138.3 52.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.15 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.2 p90 . . . . . 0 N--CA 1.465 0.283 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.396 -175.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.04 157.01 47.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.114 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.6 mt -116.05 146.07 42.48 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -123.57 126.93 47.54 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.141 0.275 . . . . 0.0 110.296 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -119.82 126.3 50.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.301 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -143.06 146.19 33.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -117.28 121.36 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.685 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.97 136.92 54.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.969 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -125.27 145.02 50.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.4 t -137.66 146.39 43.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 111.085 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -118.37 121.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.492 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 135' ' ' VAL . 14.0 tt -127.56 95.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 17.05 95.16 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -165.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t 74.2 -8.67 1.4 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 169.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.549 ' HB ' HG23 ' A' ' 132' ' ' ILE . 46.0 t -105.63 135.29 44.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.573 0.624 . . . . 0.0 109.37 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.0 127.46 51.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.49 128.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.17 127.2 6.86 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 59.4 p -125.74 144.07 50.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.155 0.503 . . . . 0.0 111.15 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -118.11 121.96 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.45 136.96 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 111.197 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.18 143.65 34.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.52 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.81 -177.98 30.46 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.232 -0.985 . . . . 0.0 112.207 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.611 ' C ' HG23 ' A' ' 6' ' ' THR . 11.2 p -136.8 149.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 160.73 26.73 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.627 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -128.33 143.09 50.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.387 -0.406 . . . . 0.0 109.967 -177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -108.27 135.74 49.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.411 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -125.24 149.14 48.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.13 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HD3' ' A' ' 147' ' ' ARG . 26.7 m -127.18 133.14 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.104 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.07 134.02 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 t -141.03 156.32 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.054 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 151.03 21.88 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.97 31.47 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.286 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -117.84 143.31 46.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.19 144.28 38.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -121.8 140.09 52.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.293 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -125.39 147.17 49.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -130.0 139.09 51.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.213 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.35 107.8 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.448 0.642 . . . . 0.0 110.078 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.36 121.91 18.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.936 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.75 -14.69 64.42 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.607 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -116.51 158.25 23.91 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.773 0.786 . . . . 0.0 109.961 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.0 mtt -102.06 97.94 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -175.92 152.51 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.971 0.415 . . . . 0.0 111.705 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.4 145.67 49.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.721 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.8 mtp -135.08 158.47 44.28 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.662 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' HG23 ' A' ' 46' ' ' THR . . . -137.44 138.79 9.96 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.9 168.05 28.78 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.202 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.56 150.55 41.49 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.632 ' C ' HD22 ' A' ' 26' ' ' LEU . 4.6 p-10 -132.62 140.17 48.09 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.116 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 136.5 54.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -129.57 144.8 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.199 0.523 . . . . 0.0 111.836 -174.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -124.48 138.99 54.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.962 174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -138.02 140.1 39.96 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 123.212 0.32 . . . . 0.0 111.523 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.62 142.0 51.12 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.0 148.07 51.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.299 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -102.06 141.03 35.54 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.303 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.13 -45.22 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -104.08 -13.39 16.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.22 72.9 12.05 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.06 134.48 19.59 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 120.908 1.072 . . . . 0.0 113.414 -170.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.7 tt -126.12 127.35 45.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 169.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.09 116.93 5.27 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.416 -172.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.36 130.68 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -125.23 130.99 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.581 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.8 129.84 8.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -128.1 137.1 52.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -116.51 128.79 55.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -119.64 133.54 55.6 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.999 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.39 122.82 41.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 108.956 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 22' ' ' GLY . 5.3 m -127.56 144.61 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.415 -177.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.54 0.21 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -134.29 132.93 40.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.074 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -132.88 138.14 46.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.31 137.15 8.87 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.973 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.19 126.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.15 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.063 0.459 . . . . 0.0 111.74 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.61 152.58 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.433 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.51 139.4 6.98 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.803 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -75.46 163.19 34.77 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 CA-C-N 119.826 1.813 . . . . 0.0 111.949 168.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.11 151.56 46.78 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.438 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.592 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.233 0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -124.92 151.8 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -148.03 159.14 44.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.085 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.87 145.57 17.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.79 151.79 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 111.406 -172.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.03 153.76 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.94 -177.39 38.66 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.888 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.35 139.44 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.66 14.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -124.92 143.97 50.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.732 0.301 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -98.26 144.81 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -135.99 157.6 46.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 111.425 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.6 175.13 32.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.05 143.92 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.9 p -134.05 149.06 51.13 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -154.45 162.38 41.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.09 -175.57 47.55 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.06 157.33 46.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.25 159.23 27.92 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.686 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.04 136.96 48.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -110.22 133.98 52.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.513 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.332 -0.155 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.764 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 152.24 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.169 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 144' ' ' VAL . 75.3 mt -111.67 141.69 44.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.206 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -120.32 126.91 51.7 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -123.38 129.6 51.52 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.0 m -143.05 153.68 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.366 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -114.13 124.87 53.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.359 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -121.6 135.19 55.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.022 0.439 . . . . 0.0 111.401 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -128.37 144.71 51.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.489 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -138.07 140.3 39.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -119.27 129.61 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.683 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -127.1 112.14 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -45.09 95.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.135 0.897 . . . . 0.0 112.578 -158.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m 148.13 -53.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 125.671 1.857 . . . . 0.0 109.288 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.46 139.12 33.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.605 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -104.02 118.89 37.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.804 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.3 t -110.64 133.95 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 O-C-N 122.271 -0.268 . . . . 0.0 110.411 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 132.77 9.3 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.009 -1.237 . . . . 0.0 110.009 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.485 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.3 m -132.87 136.75 46.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.894 0.347 . . . . 0.0 111.103 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -106.96 126.29 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.482 HD11 ' CG ' ' A' ' 25' ' ' ASN . 18.1 tt -128.06 135.06 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.058 0.456 . . . . 0.0 111.083 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.04 147.06 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.815 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.72 -177.96 32.29 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.13 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.535 HG12 HD23 ' A' ' 123' ' ' LEU . 34.8 m -133.85 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 162.11 26.75 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.818 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -129.9 143.23 50.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.525 -0.337 . . . . 0.0 110.242 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.406 ' HD3' HG23 ' A' ' 4' ' ' THR . 27.5 mmt85 -94.7 139.32 31.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.16 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.598 178.845 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.539 HG21 ' HD2' ' A' ' 147' ' ' ARG . 35.9 m . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.26 145.38 49.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.403 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -130.06 133.27 46.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -123.24 132.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.767 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.0 p -136.16 161.68 35.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.026 0.441 . . . . 0.0 110.593 -177.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 150.85 23.06 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.8 170.15 34.15 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.231 -176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -120.54 143.95 48.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.2 150.61 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.09 140.12 50.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.538 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.0 p -124.28 145.71 49.22 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.138 -174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -128.07 139.06 52.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.098 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -108.03 107.91 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 110.466 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -73.24 121.88 21.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.915 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.94 -14.62 64.78 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.84 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -116.59 154.69 30.03 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 117.706 0.753 . . . . 0.0 109.755 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.4 mtm -101.99 97.86 8.14 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.858 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 48.7 p-10 -175.23 151.38 1.27 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.286 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -135.12 137.56 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.457 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -128.85 149.66 50.66 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.297 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.52 131.46 6.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -147.04 168.36 28.24 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.264 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -120.98 152.51 38.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -136.07 141.86 44.28 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.193 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.7 mt -128.66 135.91 49.93 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CD ' HD11 ' A' ' 40' ' ' ILE . 50.4 pttt -146.07 158.02 43.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.371 0.605 . . . . 0.0 112.444 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -131.94 139.36 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.619 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -125.08 140.08 53.21 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.322 0.389 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -123.33 140.79 52.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -131.98 148.13 52.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.139 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -89.3 142.04 28.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.33 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -67.47 -45.05 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -104.13 -13.32 16.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 p -147.21 73.02 12.05 Favored Pre-proline 0 C--O 1.235 0.303 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -68.51 134.5 30.92 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 120.873 1.048 . . . . 0.0 113.228 -169.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.25 135.08 51.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.726 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.99 116.83 5.34 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.42 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -127.87 130.65 70.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 ' CD ' ' A' ' 27' ' ' LYS . 10.0 tt -135.71 140.38 44.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.96 131.35 8.42 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m -127.87 137.2 52.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.538 0.209 . . . . 0.0 111.114 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HD1' ' HH ' ' A' ' 63' ' ' TYR . 96.2 m-85 -119.18 127.23 53.11 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 176.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 m -124.06 140.88 52.55 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.89 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -131.58 130.15 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.654 HG22 ' HA3' ' A' ' 23' ' ' GLY . 66.0 p -122.23 148.95 44.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.754 -179.844 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.03 144.45 32.28 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.32 0.388 . . . . 0.0 111.02 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HH ' ' HD1' ' A' ' 43' ' ' PHE . 64.3 t80 -136.12 140.18 43.5 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.5 137.16 8.54 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.047 -174.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.05 130.14 71.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.05 159.96 41.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.213 0.53 . . . . 0.0 111.774 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.97 149.93 31.1 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.11 142.25 9.51 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.087 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.45 163.19 34.82 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.802 1.668 . . . . 0.0 111.582 166.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.726 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -133.69 155.13 50.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 C--O 1.233 0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.992 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -124.95 151.67 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.68 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 22.8 m-85 -135.48 149.3 49.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.86 145.39 17.37 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.439 HG12 ' HA3' ' A' ' 68' ' ' GLY . 32.9 m -137.85 152.01 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 112.146 -169.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG22 ' HD1' ' A' ' 109' ' ' TYR . 60.5 t -131.52 153.65 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.03 -178.56 40.52 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.796 -1.192 . . . . 0.0 112.122 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -134.55 139.55 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.11 145.53 16.69 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -128.05 147.01 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.113 -178.273 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.973 0.416 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -95.98 135.23 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.528 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.13 154.4 36.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 111.896 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 168.48 25.76 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.273 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 83' ' ' VAL . 76.7 t80 -109.67 138.65 45.73 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.7 p -130.74 145.99 52.09 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.653 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.581 ' HD1' HG22 ' A' ' 83' ' ' VAL . 93.8 t80 -146.46 151.2 37.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.736 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.34 -178.68 43.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.984 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.21 158.53 43.98 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.42 165.26 29.94 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.4 mt -128.9 149.96 50.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -116.67 137.26 52.32 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.183 0.302 . . . . 0.0 110.542 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.434 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.78 149.83 36.33 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.61 138.29 50.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.885 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.75 137.15 52.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -136.31 141.66 43.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.5 m -143.06 154.65 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.387 . . . . 0.0 111.024 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.82 117.9 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -114.24 134.34 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.25 133.43 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.596 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m -126.23 137.83 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.27 130.07 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.202 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 85.4 mt -127.25 110.03 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 168.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -45.15 95.14 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.227 0.954 . . . . 0.0 112.657 -158.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.0 m 150.52 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 125.389 1.681 . . . . 0.0 109.016 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 p -109.45 137.26 42.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.309 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.16 119.35 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.945 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.2 132.41 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.36 -177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 132.95 9.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.47 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -133.45 139.19 46.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -106.06 131.69 53.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.601 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 10' ' ' ALA . 70.2 mt -121.04 131.31 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.769 0.318 . . . . 0.0 110.54 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.6 139.19 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.962 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.63 -177.95 35.14 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.522 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.47 155.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.767 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.06 157.02 25.84 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.695 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -131.67 142.43 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.539 ' HD2' HG21 ' A' ' 2' ' ' THR . 24.8 ttp-105 -119.9 137.76 53.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.596 179.729 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.704 0.287 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.15 147.93 52.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.352 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -130.91 133.22 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.88 128.0 68.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -136.11 146.47 47.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.329 0.393 . . . . 0.0 110.77 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.68 150.79 22.54 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 174.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.8 170.03 33.59 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.906 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -121.46 144.1 48.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.066 -0.567 . . . . 0.0 109.762 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 147.43 41.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.061 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.42 140.05 53.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -121.2 138.48 54.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.94 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -115.89 139.05 50.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.286 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.34 107.95 19.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.362 0.601 . . . . 0.0 110.156 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -82.87 121.92 27.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.007 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.24 -14.6 57.2 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.738 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.637 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.42 144.85 43.77 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.598 0.699 . . . . 0.0 109.622 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.2 mtt -90.93 97.82 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.066 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -176.85 147.3 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -134.91 146.7 49.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.931 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 93.5 mmm -131.79 147.5 52.49 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.08 -176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.97 131.59 6.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.9 168.26 29.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.465 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -130.09 156.4 44.59 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' HD11 ' A' ' 141' ' ' ILE . 16.7 p30 -144.02 150.19 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.374 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -126.65 138.92 53.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.552 177.097 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.93 141.07 51.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.98 139.09 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.559 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HG2' HG22 ' A' ' 40' ' ' ILE . 76.9 mtp180 -134.78 140.28 45.77 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.911 0.386 . . . . 0.0 111.795 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -124.08 136.51 54.29 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.56 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -134.06 148.14 51.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.031 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -100.39 144.48 29.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.289 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -67.6 -45.12 76.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -100.76 -13.23 18.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -147.1 74.89 11.84 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.48 134.59 33.66 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 120.867 1.045 . . . . 0.0 112.9 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -126.22 132.32 51.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 172.475 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.759 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.79 116.84 5.21 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.84 130.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.764 HD11 HG12 ' A' ' 82' ' ' VAL . 2.6 pp -125.74 131.99 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.975 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.83 129.71 7.37 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 171.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -128.26 137.1 51.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 111.26 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.9 125.41 54.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.5 m -118.57 135.43 54.43 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.763 -175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -123.49 123.53 40.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 p -123.22 142.65 50.7 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.466 0.479 . . . . 0.0 110.241 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.18 -178.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.459 0.171 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.02 136.69 48.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -124.11 139.95 53.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.38 130.8 6.14 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.64 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.27 127.97 73.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -140.05 159.98 40.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.154 0.502 . . . . 0.0 111.853 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.01 150.36 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.187 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.3 139.72 7.23 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.681 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.35 163.08 35.25 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 CA-C-N 119.847 1.823 . . . . 0.0 111.223 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.759 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -140.57 149.83 42.89 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.599 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.069 -178.522 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -128.26 151.88 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -144.3 159.02 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.97 145.7 17.67 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.764 HG12 HD11 ' A' ' 40' ' ' ILE . 33.2 m -134.75 148.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 117.253 0.526 . . . . 0.0 111.735 -170.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 109' ' ' TYR . 33.5 m -134.7 153.84 35.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 170.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.07 -179.8 40.81 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.006 -1.092 . . . . 0.0 112.197 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 87' ' ' TYR . 44.5 t -127.46 138.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.05 133.64 10.03 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.403 ' CZ ' HG11 ' A' ' 85' ' ' VAL . 93.3 m-85 -122.57 138.11 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 -177.404 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.664 0.268 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -102.03 143.4 31.93 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -136.09 154.96 50.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 111.666 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.47 170.96 29.67 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.06 144.56 42.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.365 0.082 . . . . 0.0 110.799 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -128.43 142.63 51.04 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.249 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.574 ' CD2' HG12 ' A' ' 83' ' ' VAL . 80.6 m-85 -136.53 145.59 45.23 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.471 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.62 179.87 42.39 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.329 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.58 157.11 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.52 159.23 27.96 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.887 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.3 mp -123.78 146.41 48.35 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -109.93 131.7 54.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.526 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.332 -0.167 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.373 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.231 0.088 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.01 152.24 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.24 145.51 46.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -122.09 126.98 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -116.95 126.14 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.839 0.712 . . . . 0.0 109.454 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.8 t -143.08 148.07 36.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.0 111.395 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -115.98 122.3 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.625 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -117.85 138.06 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.177 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -125.56 138.69 53.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.2 m -130.42 145.91 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -116.32 120.56 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.489 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.4 94.74 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 15.5 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.985 1.314 . . . . 0.0 114.414 -165.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.7 t 74.04 -8.81 1.36 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -104.68 134.32 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 118.538 0.608 . . . . 0.0 109.461 177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -103.34 123.3 46.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.598 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.97 133.07 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 132.02 8.94 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.478 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 31.0 m -126.43 136.18 52.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.066 0.46 . . . . 0.0 111.287 -176.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -107.34 121.89 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.527 HD11 ' ND2' ' A' ' 25' ' ' ASN . 18.9 tt -127.27 137.19 58.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.084 0.468 . . . . 0.0 111.405 -173.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 139.09 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.831 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.48 169.75 26.97 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.251 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.9 t -137.44 144.99 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.62 168.21 27.42 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.685 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -134.09 143.15 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.553 0.216 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -103.51 141.54 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.752 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.557 179.255 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -128.49 151.51 49.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.222 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.492 HG21 HH21 ' A' ' 29' ' ' ARG . 34.2 m -130.34 133.19 46.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.475 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.71 128.43 71.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.725 HG22 ' HA3' ' A' ' 145' ' ' GLY . 30.1 p -131.39 158.53 40.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 0.0 110.796 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 150.8 23.06 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 171.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.38 170.06 33.37 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.112 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.86 143.91 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.15 144.43 38.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -123.09 140.04 53.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -122.35 141.41 51.59 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.007 -174.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -107.46 136.95 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.66 107.93 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.171 0.51 . . . . 0.0 110.677 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -79.27 121.98 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.496 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.65 -14.51 64.75 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.695 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -116.44 146.05 42.82 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.774 0.787 . . . . 0.0 109.48 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.4 mtt -86.56 160.48 18.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 66.93 135.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.812 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -85.16 162.17 19.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.2 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mtp -115.96 150.1 37.71 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.446 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.72 138.15 9.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.735 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -151.81 168.16 31.12 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.273 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.97 150.25 41.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -133.66 137.65 45.48 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.144 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' THR . 14.2 tp -124.18 135.88 53.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 40' ' ' ILE . 36.3 mtmm -130.58 142.6 50.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.697 -174.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.064 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.492 HH21 HG21 ' A' ' 4' ' ' THR . 71.0 mtm180 -130.36 140.11 50.63 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.767 0.318 . . . . 0.0 111.217 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -127.21 142.01 51.59 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.99 146.13 52.28 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.11 146.53 24.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.149 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -71.38 -45.16 63.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -104.19 -13.31 16.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -147.26 75.57 11.46 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.06 134.4 19.47 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.716 0.944 . . . . 0.0 113.294 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -126.15 135.28 51.47 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.84 116.66 5.17 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -174.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -124.01 130.82 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.594 HD11 ' HD2' ' A' ' 27' ' ' LYS . 12.8 tt -126.61 132.12 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.803 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.93 129.94 8.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 m -125.46 137.14 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.966 0.412 . . . . 0.0 111.219 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -113.58 122.84 48.43 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 t -119.74 135.8 54.7 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.635 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -129.97 124.63 33.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.391 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.735 HG22 ' HA3' ' A' ' 23' ' ' GLY . 64.3 p -129.27 154.73 46.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.318 177.69 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.47 0.176 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 131.03 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.895 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.79 150.39 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 137.25 8.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -174.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.94 125.84 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HA3' ' A' ' 84' ' ' GLY . 75.4 p -130.81 160.0 35.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.147 0.499 . . . . 0.0 111.445 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.59 146.32 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.255 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.596 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.66 138.41 6.65 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.659 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.29 163.11 35.31 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 CA-C-N 119.888 1.844 . . . . 0.0 111.465 167.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.701 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -125.66 154.19 42.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.54 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.042 -177.713 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.2 pt -125.54 151.92 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.419 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -146.63 159.09 43.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.895 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.96 145.68 17.65 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.91 151.14 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 111.413 -171.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.612 HG22 ' HD2' ' A' ' 109' ' ' TYR . 40.7 t -131.3 153.67 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -164.96 178.67 39.96 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.328 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.12 138.33 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -119.62 140.74 15.05 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -122.74 133.17 54.49 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 175.711 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.764 0.316 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.89 123.97 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -113.09 138.38 50.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.715 0.293 . . . . 0.0 111.034 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.07 160.17 25.74 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.11 143.65 43.99 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.3 t -131.11 139.42 49.84 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.612 ' HD2' HG22 ' A' ' 83' ' ' VAL . 58.9 m-85 -137.35 142.86 41.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.43 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.96 -177.87 41.14 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.21 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.54 159.05 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.34 158.46 27.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.465 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.48 136.81 53.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -109.84 129.26 55.66 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.316 0.385 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.331 -0.209 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.454 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.618 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -140.77 151.69 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.143 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -121.92 143.28 49.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.45 127.12 43.55 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.402 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.77 133.04 54.92 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.2 t -143.07 143.54 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 111.338 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -115.22 123.27 48.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.443 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.29 138.13 54.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.345 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -116.77 139.97 49.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.8 t -132.8 141.0 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.388 . . . . 0.0 111.047 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -113.49 117.83 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.292 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.42 94.91 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 15.24 95.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -165.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 p 73.45 -7.53 1.53 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.94 133.54 47.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 118.552 0.615 . . . . 0.0 109.585 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -104.05 121.23 42.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.665 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.14 133.12 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.659 0.266 . . . . 0.0 110.378 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 127.45 6.97 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -123.21 134.98 54.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -114.29 121.92 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.2 tt -126.44 138.44 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.051 0.453 . . . . 0.0 111.03 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.96 140.8 34.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.744 175.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.42 175.48 30.26 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.911 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.97 149.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.725 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -151.19 177.43 29.17 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.717 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -135.04 143.24 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.375 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -106.74 140.15 40.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.858 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.694 0.283 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.19 146.0 48.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.147 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.0 p -130.4 133.37 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.055 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.62 132.48 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.758 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.8 p -136.32 165.45 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.704 -176.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 26' ' ' LEU . . . -152.51 150.73 22.59 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 171.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.13 170.02 34.86 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.842 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -128.73 144.23 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.213 -0.493 . . . . 0.0 109.938 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.28 147.2 41.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.2 140.06 49.41 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 m -120.6 139.56 52.79 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.25 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.19 125.26 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.92 107.85 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.344 0.593 . . . . 0.0 110.117 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -85.01 121.93 28.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.42 -14.32 60.92 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.708 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -116.23 174.08 6.25 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 117.715 0.758 . . . . 0.0 110.118 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -94.57 153.66 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.437 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 p30 46.65 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.282 0.989 . . . . 0.0 113.13 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -108.82 162.13 14.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.849 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mtm -117.97 159.4 23.23 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.79 141.49 11.99 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.22 168.05 32.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.923 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.19 155.11 45.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -143.97 150.19 37.93 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.789 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA2' ' A' ' 7' ' ' GLY . 74.6 mt -123.78 140.5 52.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.402 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -120.92 142.38 49.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.2 0.524 . . . . 0.0 111.474 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -121.98 139.12 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.603 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -129.98 140.24 50.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -122.73 134.73 54.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.269 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -126.93 146.18 50.4 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.798 0.333 . . . . 0.0 111.115 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.62 140.45 32.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.32 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -67.59 -44.86 77.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.27 -13.27 17.44 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -147.15 73.88 11.96 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -59.89 134.51 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.907 1.071 . . . . 0.0 112.896 -170.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.3 135.2 51.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.271 172.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.85 5.21 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.98 130.76 74.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.43 130.83 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.81 129.88 6.74 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -128.06 137.1 52.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.259 -175.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -114.32 122.63 47.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.2 m -121.81 137.69 54.67 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -123.81 129.94 51.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.343 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 71.6 p -128.05 153.6 46.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.422 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.776 179.096 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 N--CA 1.461 0.108 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -141.81 138.25 32.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.289 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -135.98 151.32 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.96 137.31 6.84 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.49 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.02 140.19 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.509 HG22 ' HA3' ' A' ' 84' ' ' GLY . 81.1 p -133.43 161.12 35.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.098 0.475 . . . . 0.0 111.508 -176.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.07 144.98 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.084 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 159.64 31.36 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 119.614 -1.279 . . . . 0.0 114.122 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.31 163.15 35.19 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.231 1.954 . . . . 0.0 113.016 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -148.16 154.99 40.88 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.466 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.333 -0.139 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.376 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.23 0.063 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.9 tt -137.68 151.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.348 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -147.08 154.87 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.973 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.28 145.66 16.95 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.14 157.27 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 117.223 0.511 . . . . 0.0 111.608 -173.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 109' ' ' TYR . 41.1 t -129.98 153.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 172.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.56 179.53 38.57 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.28 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.27 143.51 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.11 153.69 20.85 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -128.05 145.49 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.805 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.93 128.16 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -128.65 155.73 44.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.077 0.465 . . . . 0.0 111.515 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.07 169.54 30.12 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -113.13 147.09 38.05 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -134.17 141.04 46.93 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.102 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.643 ' HD1' HG22 ' A' ' 83' ' ' VAL . 43.6 m-85 -135.45 144.48 46.47 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -169.04 175.55 43.41 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 119.88 -1.153 . . . . 0.0 112.565 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.95 157.36 43.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.07 164.84 28.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.507 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.5 mp -122.05 144.09 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -114.34 129.59 56.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.302 0.376 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.184 179.668 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.62 152.71 51.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.6 142.57 46.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -127.37 127.22 43.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.516 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -122.91 131.93 53.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.576 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.2 t -143.02 147.61 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.96 0.41 . . . . 0.0 111.423 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.531 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -114.54 136.5 52.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -175.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -122.52 130.0 52.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -131.49 143.74 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -117.52 119.97 36.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.253 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.0 mt -127.4 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 14.88 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -164.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 p 74.4 -9.14 1.34 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.15 134.02 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 CA-C-N 118.569 0.622 . . . . 0.0 109.583 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.0 129.83 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 122.28 5.14 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -123.78 134.62 53.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.017 0.437 . . . . 0.0 111.553 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -110.59 127.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 13.8 tt -130.14 141.54 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.454 . . . . 0.0 111.527 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.76 145.06 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.9 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.95 30.63 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.951 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -128.49 154.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.758 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.01 151.33 22.43 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.9 143.04 50.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -117.28 144.91 44.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.308 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -126.87 142.0 51.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.216 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m -130.52 133.16 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.06 128.83 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.65 HG23 ' C ' ' A' ' 144' ' ' VAL . 8.7 m -133.27 145.99 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.379 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.67 150.85 20.0 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.83 170.04 34.7 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.145 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -131.13 144.1 51.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.952 -0.624 . . . . 0.0 109.966 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.2 149.35 44.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -116.68 140.08 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -122.47 138.45 54.55 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.95 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -115.51 127.01 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -111.09 107.89 17.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.313 0.578 . . . . 0.0 110.242 -174.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -70.36 122.0 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.414 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.93 -14.37 60.16 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 124.209 0.943 . . . . 0.0 112.703 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 30.0 mm100 -116.42 162.05 18.15 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 117.811 0.805 . . . . 0.0 110.145 173.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.8 mtt -102.06 162.75 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 111.183 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 68.59 133.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.999 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -79.97 154.39 28.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.022 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -119.3 153.92 34.31 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.24 136.11 8.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 164.21 28.2 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.893 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.535 ' ND2' HD11 ' A' ' 141' ' ' ILE . 40.0 p-10 -141.82 150.09 41.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.93 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.88 142.12 51.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.731 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -127.04 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.176 0.512 . . . . 0.0 111.817 -169.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.08 139.11 54.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -132.31 140.11 48.45 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.239 0.337 . . . . 0.0 111.048 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -125.13 141.98 51.78 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.474 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -122.6 145.12 48.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.948 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -100.72 141.89 32.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.213 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.96 -45.29 51.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -104.01 -13.33 16.35 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.6 m -147.16 80.92 9.13 Favored Pre-proline 0 C--O 1.234 0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -59.94 134.21 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.723 0.948 . . . . 0.0 112.531 -168.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -126.4 135.24 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.654 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -95.82 116.73 5.48 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.2 130.8 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -126.72 130.94 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.18 129.9 6.67 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 p -128.27 137.21 51.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 111.248 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -107.01 123.58 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -117.35 135.2 54.03 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.043 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.07 124.5 44.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -122.46 141.64 51.41 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.322 0.389 . . . . 0.0 110.45 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.381 -176.242 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -124.67 137.34 54.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 111.268 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -127.25 133.95 50.14 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.42 137.16 9.31 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.112 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -115.95 128.22 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -134.99 161.11 36.21 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.956 0.408 . . . . 0.0 111.299 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.95 147.47 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.417 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.93 134.43 4.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.644 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.36 163.19 35.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 CA-C-N 120.182 1.991 . . . . 0.0 111.99 168.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.5 155.0 49.37 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -176.666 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.0 mt -125.2 151.8 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.12 159.04 44.34 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.177 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.83 145.7 17.64 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -137.56 146.0 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.776 -170.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.44 154.12 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.08 -172.93 37.77 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.848 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -133.76 142.88 40.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.01 140.41 12.35 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -119.39 137.15 53.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.873 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.697 0.284 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.94 123.32 39.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -121.88 144.78 48.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.979 0.418 . . . . 0.0 111.342 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.22 160.77 25.94 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -113.0 137.84 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.5 m -130.35 144.64 51.51 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.891 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -151.19 159.99 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.45 46.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.37 159.29 42.45 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.88 163.96 28.85 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.841 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -127.55 147.95 50.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.349 -0.426 . . . . 0.0 109.978 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.93 130.53 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.252 0.345 . . . . 0.0 110.148 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.781 -177.906 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 146' ' ' TYR . 35.6 m . . . . . 0 C--O 1.231 0.123 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.99 143.27 45.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.365 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.6 mm? -112.25 137.13 50.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -121.24 126.89 50.71 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.039 -0.265 . . . . 0.0 110.287 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -122.93 132.66 54.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.4 t -143.07 148.81 37.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 111.371 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -110.82 118.69 36.82 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.37 134.8 55.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 111.385 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.39 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.447 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -131.32 137.53 48.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.663 0.268 . . . . 0.0 110.323 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -119.36 128.73 54.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.776 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.27 106.14 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -43.8 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.261 0.976 . . . . 0.0 113.352 -158.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 p 149.7 -51.87 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 112.905 -1.952 . . . . 0.0 109.179 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.9 t -109.36 135.13 49.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -171.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -104.19 119.93 40.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.92 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.7 t -114.63 133.25 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.499 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.99 130.89 8.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.497 HG22 ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.03 135.87 50.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.437 . . . . 0.0 111.419 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -108.44 123.2 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.535 HD11 ' ND2' ' A' ' 25' ' ' ASN . 16.6 tt -128.56 137.64 56.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.141 -175.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.96 172.42 30.61 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.033 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.65 ' C ' HG23 ' A' ' 6' ' ' THR . 44.6 t -134.46 144.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 161.44 26.75 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.905 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 121' ' ' VAL . 82.5 m-85 -126.35 143.12 51.28 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -112.38 140.47 47.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.001 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.567 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.3 p -122.77 141.21 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -127.58 142.54 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.167 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.3 m -129.68 133.16 46.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.529 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -116.72 129.03 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 m -135.92 145.99 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.443 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.57 150.85 20.66 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.48 170.08 32.86 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.082 -1.056 . . . . 0.0 112.457 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -125.43 144.04 50.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.887 -0.656 . . . . 0.0 109.6 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.19 148.45 43.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.187 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -121.51 140.18 52.54 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -122.26 143.76 49.4 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.987 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.09 139.02 54.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.226 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -106.93 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 0.0 110.301 -175.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.5 121.83 23.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.029 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.65 64.82 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.715 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -116.58 154.08 31.1 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.695 0.748 . . . . 0.0 109.543 170.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -102.11 97.88 8.13 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.667 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 37.6 p-10 -178.76 153.61 0.68 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.956 0.407 . . . . 0.0 111.04 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -131.94 146.49 52.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.1 mtp -134.84 156.35 49.05 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.101 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.58 138.31 10.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.69 168.14 29.86 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -126.45 155.59 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' HG22 ' A' ' 44' ' ' THR . 23.9 p30 -135.48 146.71 48.43 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.282 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.2 tp -122.83 136.03 54.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.189 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -123.76 140.59 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.101 0.477 . . . . 0.0 111.678 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -122.12 139.02 54.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.544 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -127.9 140.14 52.18 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.42 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -129.85 138.65 51.09 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.448 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.33 148.1 51.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.071 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.28 141.68 28.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.393 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -67.13 -44.22 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.54 -13.32 17.24 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.234 0.278 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.84 134.5 50.54 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.001 1.134 . . . . 0.0 112.915 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.18 135.2 51.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.175 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.88 116.76 5.21 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.91 130.82 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.44 130.96 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.247 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.77 8.37 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -128.18 137.09 51.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.356 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.26 127.61 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 25' ' ' ASN . 72.2 p -115.1 135.23 54.43 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.683 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.31 120.99 32.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.859 0.724 . . . . 0.0 109.056 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.727 HG22 ' HA3' ' A' ' 23' ' ' GLY . 22.7 p -126.78 150.28 49.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.474 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -132.28 149.44 52.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.746 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -86.83 138.04 31.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.496 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -87.92 146.46 25.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.474 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -106.6 144.28 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.8 m -119.16 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.095 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.53 123.94 32.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -179.61 -73.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -63.27 -37.22 86.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.624 0.25 . . . . 0.0 111.151 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.44 -7.02 61.48 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.22 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -82.57 144.49 30.32 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 117.98 0.89 . . . . 0.0 110.435 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.17 138.13 54.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -134.52 135.68 42.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.97 116.42 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.403 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -128.07 125.39 39.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.291 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -128.56 143.99 51.07 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.38 133.57 38.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.5 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.57 139.18 53.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.23 137.02 8.48 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.025 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.34 129.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -140.05 159.56 41.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.974 0.416 . . . . 0.0 111.96 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 151.09 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.714 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.595 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.62 139.45 7.0 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 120.239 -0.981 . . . . 0.0 113.018 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.43 163.16 34.89 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 119.775 1.788 . . . . 0.0 111.958 168.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -138.98 146.69 41.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.16 130.15 52.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -114.06 128.3 56.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.671 0.272 . . . . 0.0 110.436 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 73' ' ' ILE . 2.7 pp -128.75 148.62 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 47.95 27.36 1.16 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.502 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.76 28.81 0.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -98.67 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.97 161.47 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.37 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.7 t -123.51 146.72 47.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.228 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 113' ' ' LEU . 14.0 tt -129.57 151.76 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -146.89 159.08 43.98 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.881 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.95 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.595 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.44 151.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 111.328 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.3 153.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.96 38.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.853 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.1 t -129.45 139.45 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.21 147.23 18.07 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -128.0 143.67 51.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.29 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.86 141.02 49.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.58 0.228 . . . . 0.0 110.762 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -135.09 156.3 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.231 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.46 145.52 6.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.0 m -112.92 142.29 45.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.366 0.603 . . . . 0.0 111.747 -172.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 48.0 m -111.73 156.29 22.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.933 175.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -77.66 104.75 8.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.527 0.68 . . . . 0.0 110.268 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -115.3 147.67 39.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.035 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.57 155.19 22.18 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.04 1.16 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.1 m -79.79 128.1 33.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.406 0.622 . . . . 0.0 111.56 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -147.89 155.92 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.498 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -71.96 122.3 20.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.065 0.46 . . . . 0.0 110.829 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -174.46 160.37 3.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.423 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.18 136.26 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.675 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.2 p -68.79 -34.65 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.465 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.4 p -127.64 161.61 28.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.676 0.274 . . . . 0.0 110.341 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.4 143.04 30.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.178 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -136.03 156.94 47.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.048 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -155.12 173.27 33.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.19 141.98 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 m -131.4 147.07 52.53 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.864 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -151.75 161.91 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.52 -176.65 48.14 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.419 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.58 156.11 46.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.586 0.231 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.68 27.12 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.524 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 79' ' ' ILE . 74.9 mt -123.06 151.22 42.18 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.88 131.68 54.84 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -123.04 154.49 38.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.332 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 58.79 70.95 1.05 Allowed Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.047 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -86.54 34.8 0.46 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.748 1.632 . . . . 0.0 112.518 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.2 mtt -121.21 161.87 21.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 57.05 -171.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.419 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' OD1' HG23 ' A' ' 121' ' ' VAL . 43.6 p-10 -86.82 11.96 12.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.422 HG23 ' OD1' ' A' ' 120' ' ' ASN . 41.6 t -123.17 130.85 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 118.228 0.467 . . . . 0.0 110.809 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.32 152.87 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.45 143.97 44.07 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.475 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -125.28 126.96 45.94 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -129.31 130.94 46.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.6 p -143.06 157.08 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 111.532 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.47 130.03 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.458 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.15 135.84 54.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.204 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -134.7 139.77 45.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.9 p -142.3 148.21 37.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.025 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -115.7 125.95 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.803 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 15.66 95.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -165.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 t 75.19 -10.36 1.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.32 134.17 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 118.589 0.631 . . . . 0.0 109.443 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -104.1 128.11 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.628 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.96 134.86 62.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 128.25 7.32 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 34.6 m -131.73 136.67 47.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -108.4 130.98 55.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -119.89 128.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.99 141.54 36.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.769 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.1 -177.98 33.68 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.944 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.27 144.97 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.23 169.24 26.38 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.468 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.01 143.23 42.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -115.57 138.77 50.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.408 . . . . 0.0 110.655 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.574 179.535 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m -122.3 139.88 53.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.305 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -132.23 145.92 51.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.344 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.9 m -124.93 133.13 53.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.1 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.8 130.26 74.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.793 HG22 ' HA3' ' A' ' 145' ' ' GLY . 10.5 p -131.41 161.1 33.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 110.275 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.29 150.82 22.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 170.05 32.73 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.394 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.73 144.19 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' ' 141' ' ' ILE . . . -139.13 146.05 40.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.914 0.388 . . . . 0.0 111.435 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -121.1 140.06 52.48 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -122.53 137.99 54.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.185 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -112.78 138.97 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -124.03 108.8 12.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.276 0.56 . . . . 0.0 110.733 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -72.8 122.15 21.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.314 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.28 -14.33 61.11 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.602 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 58.8 tt0 -116.27 156.48 26.54 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 117.718 0.759 . . . . 0.0 109.35 173.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -85.01 165.44 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.285 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 47.61 -174.95 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.06 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -129.45 162.22 28.61 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.607 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.0 mtm -121.37 164.01 17.76 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.446 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.88 142.66 14.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.04 168.08 31.25 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.989 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -128.7 154.99 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.72 138.86 48.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.446 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.07 136.0 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.602 0.564 . . . . 0.0 109.514 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 40' ' ' ILE . 92.3 mttt -122.97 147.44 46.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.227 0.537 . . . . 0.0 111.877 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -127.49 137.72 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.437 172.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -136.22 140.17 43.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -125.05 136.3 53.55 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.95 148.18 49.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 111.143 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -98.42 145.5 26.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.3 -45.07 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.0 -13.14 16.43 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 m -147.18 73.6 11.98 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.89 134.66 22.05 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 120.966 1.111 . . . . 0.0 113.304 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 tp -126.13 135.18 51.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.708 -1.133 . . . . 0.0 107.978 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 117.24 5.32 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.79 130.68 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 27' ' ' LYS . 16.8 tt -125.66 130.95 72.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.86 129.93 7.23 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.4 m -127.66 137.11 52.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.01 0.433 . . . . 0.0 111.347 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CE1' HD13 ' A' ' 65' ' ' ILE . 94.7 m-85 -112.63 126.45 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -122.38 137.2 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.761 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -125.65 125.55 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.604 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -120.68 140.62 51.35 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.751 0.657 . . . . 0.0 109.866 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -141.2 149.75 41.82 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.224 0.328 . . . . 0.0 110.536 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -136.3 129.91 32.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -120.02 138.82 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.422 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -137.12 145.07 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.169 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -125.78 141.85 51.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.935 0.397 . . . . 0.0 110.307 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.21 155.41 46.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.186 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -57.7 -40.74 80.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.439 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.6 p -66.59 -30.75 71.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.684 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.49 0.42 58.03 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 121.292 -0.48 . . . . 0.0 113.347 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -85.63 118.12 24.94 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.07 0.935 . . . . 0.0 110.583 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.86 152.07 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.37 116.58 32.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -93.06 122.72 35.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -127.98 138.59 52.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -129.82 143.78 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.299 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -129.57 138.55 51.36 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.314 0.383 . . . . 0.0 111.06 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -127.72 138.2 52.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.01 136.56 8.51 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.775 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 43' ' ' PHE . 7.7 tp -116.46 129.76 72.38 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.7 p -129.67 158.95 37.93 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.19 149.7 26.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.863 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.35 159.57 28.69 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 119.489 -1.339 . . . . 0.0 114.572 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.41 163.45 34.41 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.762 2.308 . . . . 0.0 113.641 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.783 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -134.27 155.04 50.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -122.14 130.22 53.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.519 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.85 130.01 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.41 117.12 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 m120 52.67 32.45 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.744 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.4 t0 43.64 26.15 0.11 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -100.39 -57.28 2.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -136.71 156.72 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.202 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.3 t -124.01 144.03 50.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.5 mt -125.01 151.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.25 156.75 43.6 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.33 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.73 145.62 17.49 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.12 157.74 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 111.675 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.17 154.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.39 -176.88 37.32 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.374 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.38 138.76 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.31 139.48 11.08 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -128.11 147.0 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 110.456 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.4 144.35 15.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -131.28 141.08 49.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.396 -0.402 . . . . 0.0 109.979 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.289 0.368 . . . . 0.0 110.578 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -91.54 121.54 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.408 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 94' ' ' GLU . 9.3 t -145.08 171.02 15.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.479 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 77.4 p -98.93 125.93 44.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' HG2' HG23 ' A' ' 92' ' ' THR . 77.2 mm-40 -149.15 149.54 31.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 -173.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -80.51 147.33 63.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.51 134.48 64.19 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.716 0.944 . . . . 0.0 112.137 -163.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.0 t -118.49 157.46 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.05 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -96.65 126.96 42.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -76.96 142.75 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.231 0.538 . . . . 0.0 112.035 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -167.54 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.01 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -145.39 33.41 1.07 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.213 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -66.29 -37.59 85.79 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.45 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.1 p -78.34 160.26 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.765 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.26 142.05 34.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -135.99 159.65 41.03 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.094 0.473 . . . . 0.0 111.81 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.99 175.5 30.7 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.16 142.46 45.75 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.1 p -134.15 151.12 51.2 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.914 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -156.16 160.13 39.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 -176.81 48.21 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.436 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.78 159.05 43.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 110.715 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.32 162.42 28.42 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.4 mp -122.14 145.94 47.7 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -115.39 133.69 55.8 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.388 0.43 . . . . 0.0 110.568 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -122.91 147.85 46.12 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.62 85.53 38.65 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.514 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.01 -70.79 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.379 1.386 . . . . 0.0 112.479 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.2 mmm -79.33 -72.62 0.38 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.782 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -175.14 -68.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.672 0.273 . . . . 0.0 110.708 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -86.11 3.55 42.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.63 133.89 64.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.08 153.7 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.816 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 124' ' ' ASP . 3.6 tt -127.83 140.09 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.464 ' N ' HD23 ' A' ' 123' ' ' LEU . 22.8 t70 -131.04 137.97 49.41 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.487 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 123' ' ' LEU . 87.0 m-85 -123.41 135.76 54.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.226 174.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.1 t -143.05 142.63 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.173 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -109.18 120.62 43.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.738 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.52 138.16 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.694 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -127.58 146.5 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.791 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.6 m -135.46 148.05 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.037 -176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -117.84 120.86 39.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.388 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.38 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 15.6 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.905 1.282 . . . . 0.0 114.417 -165.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 m 75.33 -10.87 1.17 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 170.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -102.48 131.87 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 118.627 0.648 . . . . 0.0 109.534 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.12 124.68 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.774 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.8 t -119.45 133.08 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 126.47 6.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.444 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.65 138.5 52.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 111.063 -176.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.52 137.9 44.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 10' ' ' ALA . 42.2 mm -118.91 125.45 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.38 132.9 30.33 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.13 -177.95 36.51 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.96 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 158.34 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.793 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.98 156.78 25.68 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.808 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -127.72 143.18 51.16 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -101.88 137.61 39.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.603 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.377 179.423 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m -122.72 140.15 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.317 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -126.33 144.1 50.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.117 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.9 m -126.35 133.14 51.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.417 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.35 129.19 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.807 HG22 ' HA3' ' A' ' 145' ' ' GLY . 21.3 p -136.33 163.12 31.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.161 0.505 . . . . 0.0 110.964 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.35 150.83 22.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.29 170.02 33.86 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.759 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -128.69 144.2 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.405 -0.397 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.23 147.64 42.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.99 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -117.07 140.16 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 m -120.03 137.59 54.01 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.098 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -103.04 124.84 49.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -106.53 107.77 18.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 110.249 -175.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.91 121.96 28.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.461 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.35 61.74 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.652 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 95.6 mt-30 -116.29 169.25 9.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.827 0.814 . . . . 0.0 110.107 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.7 ttm -102.06 146.74 27.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 69.61 145.36 0.05 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.923 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.11 162.12 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.234 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -122.41 161.43 23.5 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.06 141.23 12.14 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.92 168.0 29.39 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.596 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -128.57 150.92 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -132.21 144.21 50.48 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.167 0.292 . . . . 0.0 110.975 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.57 137.06 54.43 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -129.13 144.23 51.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.207 0.527 . . . . 0.0 111.734 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -121.99 139.07 54.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.99 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -129.99 140.26 50.92 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.514 0.509 . . . . 0.0 111.557 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -129.47 138.57 51.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.462 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -133.08 148.09 52.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -97.32 146.49 25.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.531 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -103.42 -13.25 16.71 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -147.08 74.4 11.94 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.5 134.55 26.66 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.808 1.005 . . . . 0.0 113.032 -170.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.16 135.24 51.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.038 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 116.81 5.22 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.64 130.91 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.7 mt -123.93 130.81 73.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.74 129.82 7.63 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 t -128.12 137.05 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.945 0.402 . . . . 0.0 111.567 -173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -113.23 123.58 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -122.49 140.67 52.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.718 0.294 . . . . 0.0 111.265 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -129.24 130.38 46.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.504 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 m -130.78 142.04 50.38 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.224 0.327 . . . . 0.0 110.782 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -135.4 147.69 49.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.885 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -88.63 136.78 32.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 110.388 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.4 p -88.03 150.13 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.742 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -93.06 146.29 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.6 m -102.16 138.44 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.95 149.24 41.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 p 50.92 97.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.603 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -174.47 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.11 66.57 Favored Glycine 0 CA--C 1.535 1.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 113.33 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.52 118.48 31.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 117.964 0.882 . . . . 0.0 110.208 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -123.17 139.35 54.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 111.022 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -178.94 115.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -96.34 129.6 43.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 111.233 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -123.73 128.71 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.834 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -136.19 146.19 46.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.532 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -155.98 160.9 40.46 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.754 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.98 154.52 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.562 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.29 137.33 8.89 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.943 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 tt -116.13 126.65 73.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.635 HG22 ' HA3' ' A' ' 84' ' ' GLY . 74.8 p -131.28 161.97 31.11 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.148 0.499 . . . . 0.0 111.472 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.05 147.41 29.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.391 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.68 136.37 5.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.711 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.31 163.06 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 CA-C-N 120.039 1.919 . . . . 0.0 111.519 168.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 80' ' ' TYR . . . -145.89 147.81 32.17 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.926 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -122.31 130.19 52.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -101.29 109.84 21.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.8 tt -137.89 146.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.59 108.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.075 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 56.81 44.64 23.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.561 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.7 m95 47.55 23.68 0.42 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.15 140.43 29.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -124.03 146.5 48.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.969 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.2 mp -124.94 151.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.443 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 48.2 p90 -146.05 159.03 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.201 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.574 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -136.36 150.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.92 0.39 . . . . 0.0 111.415 -173.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.54 153.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.58 -177.5 38.52 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.846 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.05 137.36 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.15 134.8 10.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 133.25 55.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.01 160.1 26.66 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.746 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -134.57 141.08 46.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.429 -0.386 . . . . 0.0 110.568 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -108.94 141.58 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.703 0.627 . . . . 0.0 110.032 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -102.45 119.98 39.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.125 0.488 . . . . 0.0 111.412 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.1 p -136.12 168.72 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.323 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 m -99.0 125.5 44.48 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.378 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 173.91 149.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -80.94 114.39 48.16 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.59 134.71 18.92 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.043 1.162 . . . . 0.0 113.474 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.2 m -118.49 120.63 38.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 164.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -161.39 162.03 30.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.127 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -109.87 121.93 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 61.82 120.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.742 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -56.49 134.09 53.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.87 0.366 . . . . 0.0 110.818 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.0 m -132.36 152.42 51.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.955 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.8 p -130.29 169.1 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -95.79 142.27 28.27 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -126.92 151.02 49.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 111.926 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.34 170.43 25.49 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -113.11 141.19 47.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.587 0.194 . . . . 0.0 110.602 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.2 m -132.34 145.77 51.5 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.791 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -153.27 161.03 42.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.691 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.74 -176.18 47.86 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.413 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.49 156.79 45.19 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.71 163.78 29.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.417 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 113' ' ' LEU . 4.9 mp -128.93 149.06 50.95 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -112.5 138.15 49.68 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.53 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.08 156.39 36.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.475 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.2 m120 66.73 72.64 0.41 Allowed Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.856 0.722 . . . . 0.0 110.505 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.32 -51.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.772 1.648 . . . . 0.0 112.436 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.7 ttm -56.3 -39.25 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.868 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.8 162.92 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.229 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -80.81 2.52 25.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.47 151.37 33.36 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.48 150.58 48.77 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.704 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.8 mt -118.34 144.28 45.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.725 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -127.87 129.79 47.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.571 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -126.55 130.45 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.594 0.559 . . . . 0.0 109.559 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -143.02 157.09 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 111.187 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -112.94 126.27 55.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.446 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.92 137.71 54.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.096 0.474 . . . . 0.0 111.362 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -128.47 142.65 51.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.169 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.0 t -138.08 144.34 40.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.253 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -117.31 118.09 31.31 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.45 94.91 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 16.68 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -165.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t 73.57 -8.33 1.39 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.27 132.66 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 118.608 0.64 . . . . 0.0 109.536 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -103.96 122.17 44.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.492 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.95 126.15 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 120.28 4.4 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 t -134.05 143.95 48.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.369 0.585 . . . . 0.0 111.864 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -113.01 132.82 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.243 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.6 tt -126.0 138.77 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.948 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -135.32 141.9 45.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.569 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.89 175.85 29.69 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.121 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.59 149.84 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.807 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.9 159.51 26.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -132.23 143.11 49.7 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -94.97 140.71 29.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.343 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.2 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.595 178.411 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p -123.78 141.16 52.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -134.2 153.04 52.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -131.2 133.41 45.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.52 135.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -141.04 160.87 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 111.365 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.21 150.86 21.52 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 109.173 -1.571 . . . . 0.0 109.173 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 170.06 32.29 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.146 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -122.52 144.3 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.808 -0.696 . . . . 0.0 109.698 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.32 150.91 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -114.24 140.05 48.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -112.04 125.53 54.18 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.612 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -101.56 125.59 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -111.92 107.91 17.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.569 . . . . 0.0 110.409 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -86.89 121.82 29.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.664 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.48 65.15 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.656 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 62.8 tt0 -116.3 153.05 32.63 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.666 0.733 . . . . 0.0 109.433 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 94.8 mmm -89.83 158.6 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 65.62 125.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -84.12 162.14 20.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.604 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.0 mtt -125.01 159.35 31.51 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.059 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.41 139.03 11.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.736 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -152.15 168.14 31.32 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.999 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -132.53 157.17 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -144.1 150.16 37.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.133 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.98 135.79 52.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -119.78 138.29 53.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 0.0 111.194 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.97 138.0 54.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.873 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -127.05 140.09 52.54 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.254 0.346 . . . . 0.0 111.213 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.14 136.27 55.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.36 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.86 146.29 50.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.77 0.319 . . . . 0.0 111.231 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.88 140.02 31.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.214 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.5 -45.27 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -104.08 -13.29 16.32 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -147.25 72.94 12.01 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.02 134.49 19.68 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 120.824 1.016 . . . . 0.0 113.388 -169.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.2 mt -126.32 135.15 51.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.86 116.76 5.2 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -173.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -126.06 130.63 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.567 HD11 ' CD1' ' A' ' 80' ' ' TYR . 46.0 pt -126.19 141.49 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.96 129.89 8.33 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -128.28 137.03 51.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 110.889 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -122.03 130.2 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 172.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.2 m -123.18 137.35 54.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -125.17 126.95 46.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.485 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.736 HG22 ' HA3' ' A' ' 23' ' ' GLY . 32.2 p -127.27 150.16 49.68 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.267 0.355 . . . . 0.0 110.212 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -156.21 152.28 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.904 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -143.01 131.48 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -113.06 136.81 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.018 0.437 . . . . 0.0 110.941 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -137.47 141.31 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -132.05 147.98 52.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.933 0.397 . . . . 0.0 110.988 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.03 158.08 40.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.347 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -58.26 -33.2 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.29 -33.89 68.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.553 0.215 . . . . 0.0 111.412 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.16 4.64 53.64 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.439 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.21 118.25 24.03 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.992 0.896 . . . . 0.0 110.287 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -111.41 132.03 54.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.683 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -108.7 134.5 51.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -100.51 126.35 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -122.12 122.95 40.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.828 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.53 143.8 43.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.709 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -147.82 133.16 18.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -132.34 135.36 46.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.97 137.28 9.01 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.846 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -116.02 129.9 71.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -132.09 160.31 36.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.177 0.513 . . . . 0.0 111.468 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.15 147.83 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.944 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.03 139.09 6.84 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.156 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.43 163.19 34.84 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 CA-C-N 119.892 1.846 . . . . 0.0 111.852 167.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.82 152.51 51.15 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.2 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -122.14 128.78 51.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.528 0.204 . . . . 0.0 110.673 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.24 126.02 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.98 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 73' ' ' ILE . 9.7 tt -150.14 51.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.13 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 p30 176.08 173.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -62.19 -38.69 90.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.977 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 19.6 p-90 -145.89 176.29 9.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.188 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 68.81 103.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.311 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t -115.94 151.05 36.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.529 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.489 HD12 HD21 ' A' ' 113' ' ' LEU . 15.8 tt -124.96 151.65 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.711 -0.396 . . . . 0.0 109.943 -175.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 40' ' ' ILE . 48.9 p90 -147.65 159.08 44.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.044 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.65 17.62 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.22 152.15 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 111.343 -172.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.67 153.74 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.556 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.85 -177.92 38.97 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 119.871 -1.157 . . . . 0.0 112.187 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.03 142.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.99 155.0 21.41 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.567 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -117.51 135.13 54.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.59 150.17 20.02 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.756 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -138.31 132.14 31.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -138.81 156.11 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.312 0.383 . . . . 0.0 110.762 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -100.49 123.47 44.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.155 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 93' ' ' THR . 16.2 m -135.53 165.18 26.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.792 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 92' ' ' THR . 45.6 m -98.77 125.74 44.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -159.73 149.42 18.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.165 -174.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -80.38 127.96 74.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -55.92 134.32 63.36 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 120.581 0.854 . . . . 0.0 113.405 -160.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -118.53 155.54 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.002 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -97.03 121.69 39.2 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.69 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -114.35 142.33 46.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.27 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -58.05 -45.25 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -103.31 133.89 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.975 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.5 m -66.94 -38.07 85.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.362 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.7 p -115.75 163.01 16.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.12 -175.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -95.93 136.83 35.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.238 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.83 142.38 37.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.737 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -133.0 154.76 21.31 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -113.03 136.88 52.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -133.95 148.15 51.14 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.541 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -149.71 152.44 35.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.063 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -175.56 -176.01 43.46 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.721 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.45 158.43 43.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.75 158.43 27.67 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.771 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 79' ' ' ILE . 73.8 mt -130.54 146.25 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -121.23 140.32 52.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.542 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -127.38 144.22 51.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.399 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -127.84 83.93 64.73 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.681 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.62 -165.86 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.396 1.398 . . . . 0.0 111.73 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.1 mtp -54.9 -35.16 63.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.275 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.51 152.11 9.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.761 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -80.92 12.13 3.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.85 157.01 35.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 O-C-N 122.158 -0.339 . . . . 0.0 110.189 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.26 37.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.366 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.52 141.53 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.05 135.1 46.24 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.359 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.63 145.02 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -143.08 155.14 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 111.152 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -111.73 119.47 38.76 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -122.55 138.01 54.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.06 0.457 . . . . 0.0 111.405 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -127.57 140.82 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.5 m -135.99 147.89 48.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -117.65 123.38 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.666 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.7 mt -127.41 94.86 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 14.87 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -164.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.9 m 75.17 -10.86 1.16 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.74 134.97 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 CA-C-N 118.499 0.59 . . . . 0.0 109.577 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.36 124.08 47.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.651 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.15 132.83 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 128.66 7.49 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.49 134.26 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.021 0.438 . . . . 0.0 111.218 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -110.61 128.22 55.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.301 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -119.79 130.55 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.699 0.285 . . . . 0.0 110.588 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.82 33.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.861 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.93 -179.69 33.95 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.174 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.63 146.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.91 167.02 25.78 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.833 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -130.35 143.09 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -105.1 140.75 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.598 179.138 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.5 p -122.47 141.21 51.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -122.91 147.42 46.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.055 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 m -127.92 133.2 49.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.466 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.47 130.25 72.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -141.0 157.01 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.465 . . . . 0.0 111.212 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 150.9 22.54 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.82 170.03 31.87 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.216 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -121.08 142.24 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.505 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 148.09 42.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.894 0.378 . . . . 0.0 111.543 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.52 140.18 49.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.187 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -119.18 137.83 53.35 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.902 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -117.08 139.01 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.17 114.73 16.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.909 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -76.41 121.94 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.515 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.13 -14.37 64.61 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.768 -175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -116.37 148.86 40.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.739 0.769 . . . . 0.0 109.483 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mtp -97.92 167.03 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 111.067 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.7 t30 70.53 120.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.917 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.07 153.61 42.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.899 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.1 156.3 35.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.516 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.47 141.99 13.11 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.07 168.06 31.26 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.252 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -120.85 148.89 43.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.125 -0.537 . . . . 0.0 109.675 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' HG23 ' A' ' 44' ' ' THR . 68.7 m-20 -128.95 138.64 52.1 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.013 0.196 . . . . 0.0 110.59 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.9 tp -127.2 135.92 51.33 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.38 143.32 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -173.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.05 137.12 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.518 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' NH2' HD11 ' A' ' 40' ' ' ILE . 26.4 ttm180 -132.63 140.1 48.04 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.832 0.349 . . . . 0.0 111.32 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -128.7 137.93 51.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.78 148.08 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 111.145 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -96.29 141.44 29.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.406 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.01 -45.11 86.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -103.56 -13.22 16.64 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -147.1 73.5 12.08 Favored Pre-proline 0 C--O 1.234 0.286 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.67 134.56 24.3 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 120.914 1.076 . . . . 0.0 113.226 -169.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -126.17 135.07 51.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 171.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.621 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.99 116.83 5.23 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.97 130.68 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.413 HD11 ' NH2' ' A' ' 29' ' ' ARG . 74.8 mt -128.78 130.94 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.653 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.08 129.59 8.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -128.22 137.25 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.537 0.198 . . . . 0.0 110.807 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.41 131.23 54.7 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' OD1' ' A' ' 25' ' ' ASN . 65.6 m -114.18 134.73 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -118.13 120.95 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.828 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.444 0.465 . . . . 0.0 110.706 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -137.18 149.2 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.071 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.88 138.07 31.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.069 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -108.47 133.31 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -136.02 154.57 51.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.444 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.6 p -75.77 148.06 38.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.86 134.26 46.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.916 0.388 . . . . 0.0 110.835 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -163.05 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.164 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.6 m -60.59 -34.68 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.07 -7.05 54.39 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 121.332 -0.461 . . . . 0.0 113.183 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.16 121.54 28.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.046 0.923 . . . . 0.0 110.231 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -111.4 135.4 52.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 91' ' ' GLN . 9.9 t-20 -105.46 123.61 48.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.015 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.9 114.38 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -128.06 129.9 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.848 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -143.96 143.93 31.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.398 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -137.59 133.07 33.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.23 137.35 52.87 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.12 137.2 8.22 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.657 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.9 pt -115.98 136.98 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.822 0.311 . . . . 0.0 110.2 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.549 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.5 p -133.8 161.06 35.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 111.281 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.84 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.326 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.53 142.27 9.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.774 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.39 163.09 35.12 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 CA-C-N 119.749 1.774 . . . . 0.0 111.503 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.62 144.68 37.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.498 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.15 130.08 52.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -114.1 108.92 17.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 tp -131.12 132.97 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.641 0.258 . . . . 0.0 110.729 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 59.97 -84.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.554 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -67.43 145.22 55.23 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.855 0.36 . . . . 0.0 110.775 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -55.39 -36.51 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 146.63 34.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.853 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p -123.01 151.2 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.846 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.99 151.96 31.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.12 159.05 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.28 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.39 145.62 17.63 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.3 m -135.3 151.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.725 -171.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG22 ' HD2' ' A' ' 109' ' ' TYR . 57.7 t -126.58 153.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 170.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.549 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.41 175.32 39.68 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.247 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.07 139.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.19 155.08 21.49 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.49 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -128.08 146.94 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.54 148.77 19.5 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -129.59 140.76 51.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.814 -0.693 . . . . 0.0 109.752 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -143.94 156.04 44.28 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.351 0.407 . . . . 0.0 110.363 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.418 ' HB2' ' ND2' ' A' ' 58' ' ' ASN . 94.9 mt-30 -107.14 119.92 40.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 93' ' ' THR . 43.5 m -145.11 156.39 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.417 ' N ' HG22 ' A' ' 92' ' ' THR . 40.0 m -98.86 125.56 44.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.99 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 174.01 149.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -80.7 114.63 49.56 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.4 134.75 19.35 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.052 1.168 . . . . 0.0 113.638 -171.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.6 m -118.29 120.77 38.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 167.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.429 ' CE2' HG22 ' A' ' 102' ' ' THR . 51.5 p90 -161.2 152.95 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.435 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -114.25 121.9 45.11 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.633 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.7 p80 41.38 29.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -145.37 89.9 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.356 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.429 HG22 ' CE2' ' A' ' 98' ' ' TYR . 78.4 p -87.43 -19.09 28.53 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m -117.91 156.93 27.6 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.201 -0.312 . . . . 0.0 110.607 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.43 ' OD2' HD11 ' A' ' 132' ' ' ILE . 34.6 t0 -95.97 121.08 37.34 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -116.59 147.23 42.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 158.75 26.98 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.15 143.95 43.5 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -134.11 145.42 49.31 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.575 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.54 ' HD2' HG22 ' A' ' 83' ' ' VAL . 64.5 t80 -140.68 147.9 39.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.89 178.88 43.91 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.892 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.39 159.08 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.15 175.49 36.08 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.569 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.534 ' N ' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -140.11 152.96 46.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 -179.454 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.479 HE21 ' HB3' ' A' ' 122' ' ' ALA . 62.6 tt0 -123.93 123.36 40.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.024 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -133.24 159.01 41.45 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.008 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -149.44 152.97 36.52 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.595 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -91.43 53.04 0.82 Allowed 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 121.865 1.71 . . . . 0.0 111.841 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 64.6 mtt 57.83 36.2 26.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.226 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -122.03 173.67 7.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.237 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -80.94 5.48 16.13 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.9 t -121.43 135.6 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.494 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -127.18 155.39 43.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.446 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -114.62 140.14 49.06 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -122.29 127.02 49.35 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -125.87 135.89 52.45 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.511 0.507 . . . . 0.0 109.769 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.1 m -142.92 151.38 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -114.71 126.31 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -125.3 138.06 54.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.186 0.517 . . . . 0.0 111.466 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -130.36 135.74 48.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.8 t -140.53 148.03 40.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 0.0 111.206 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -114.48 124.57 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.677 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.522 HG23 ' HB ' ' A' ' 135' ' ' VAL . 13.5 tt -127.47 94.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 17.14 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -164.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.0 p 76.92 -13.46 0.94 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.522 ' HB ' HG23 ' A' ' 132' ' ' ILE . 45.1 t -102.19 131.18 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.499 0.591 . . . . 0.0 109.685 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.01 121.55 43.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.367 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.13 137.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.06 9.93 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.452 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 29.1 m -121.5 133.54 55.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.066 0.46 . . . . 0.0 111.262 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -108.54 121.93 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.501 HD13 ' N ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -127.99 137.08 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.204 0.525 . . . . 0.0 111.061 -174.572 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.501 ' N ' HD13 ' A' ' 141' ' ' ILE . . . -140.06 139.8 35.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.612 173.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.19 175.92 29.05 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.103 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.97 144.95 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.83 162.43 26.67 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.702 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -136.35 143.26 43.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.449 -0.375 . . . . 0.0 110.113 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -105.43 139.32 40.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.418 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.635 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -122.27 141.16 51.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -127.95 142.35 51.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.424 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.0 m -127.3 133.14 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.298 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.5 t -119.91 131.28 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -135.4 146.28 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.269 0.355 . . . . 0.0 110.965 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.81 22.61 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.11 170.21 36.16 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.071 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -124.55 144.12 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.14 149.15 44.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.297 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.6 140.12 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.533 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -122.73 146.29 47.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.269 . . . . 0.0 110.846 -175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -126.69 138.93 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.422 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -102.18 107.88 19.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.397 0.618 . . . . 0.0 110.018 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.13 121.89 20.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.807 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.98 -14.64 64.34 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.637 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -116.61 155.36 28.88 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.76 0.78 . . . . 0.0 110.11 169.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.04 97.77 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.301 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 51.4 p30 -176.06 164.83 2.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -135.07 150.85 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.439 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.1 mtp -132.64 152.59 51.62 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.451 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.33 134.33 7.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.45 168.05 28.52 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.825 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 26' ' ' LEU . 22.6 t80 -129.06 150.69 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 44' ' ' THR . 54.7 m-20 -131.73 137.81 48.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -123.07 135.99 54.64 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -138.96 153.11 48.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.48 0.657 . . . . 0.0 112.679 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -125.29 139.18 53.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.331 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HB2' HG22 ' A' ' 40' ' ' ILE . 28.2 ttp180 -129.5 140.1 51.36 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.478 0.486 . . . . 0.0 111.253 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.11 142.13 50.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -127.8 148.11 50.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -84.76 142.3 29.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.31 -45.14 77.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.0 -13.34 16.35 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -147.25 72.91 12.02 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.75 134.36 29.97 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.937 1.092 . . . . 0.0 113.118 -169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -126.21 135.1 51.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 168.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.9 116.66 5.18 Favored Glycine 0 C--N 1.333 0.407 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -174.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.55 130.67 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 29' ' ' ARG . 47.7 pt -128.25 142.23 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.738 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.33 129.92 7.76 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m -128.05 137.32 52.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.797 0.298 . . . . 0.0 111.158 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -111.57 124.28 51.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.63 HG23 ' OD1' ' A' ' 25' ' ' ASN . 86.2 m -112.26 131.25 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.64 128.43 45.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -140.0 156.87 46.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.97 157.55 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -133.46 134.78 43.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.2 t -114.09 137.73 51.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -136.07 143.16 44.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.4 m -121.58 136.89 54.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.06 153.74 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 t -58.07 -38.61 76.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 m -57.97 -36.03 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.214 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.03 20.34 46.81 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.289 -0.482 . . . . 0.0 112.75 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.97 141.71 47.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 117.654 0.727 . . . . 0.0 110.22 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -114.08 134.05 55.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.672 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -139.33 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.339 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -131.09 126.99 37.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -126.01 135.27 51.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -129.8 143.9 51.04 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -140.05 133.51 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -135.99 157.01 47.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.26 137.21 7.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 65' ' ' ILE . 16.0 tt -116.06 126.02 73.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.539 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.6 p -132.51 162.64 30.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.41 148.42 33.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.595 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.38 135.0 4.89 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.403 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.44 163.27 34.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.983 1.891 . . . . 0.0 111.673 165.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -135.26 151.5 50.63 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.826 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.1 130.02 52.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.543 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -114.19 132.35 56.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.018 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.4 mt -121.22 116.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.566 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 51.54 31.26 7.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.128 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.66 37.67 13.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.018 0.437 . . . . 0.0 111.801 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -103.27 -62.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.323 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.31 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.757 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -123.64 147.22 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -125.06 151.59 30.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 66.8 m-85 -131.85 146.06 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.955 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.84 145.46 17.42 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.63 152.05 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.985 0.421 . . . . 0.0 111.748 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.77 153.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.338 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -172.75 -171.99 38.03 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.952 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -128.69 148.16 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.36 141.9 13.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.96 132.09 49.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.42 143.63 15.37 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -140.27 141.01 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.414 0.149 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -132.68 156.12 47.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.383 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -113.97 132.86 55.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.076 0.465 . . . . 0.0 111.325 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.9 p -136.89 173.04 12.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.861 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 93' ' ' THR . 8.9 t -98.71 125.74 44.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 175.83 149.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.437 -170.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -80.47 138.27 51.58 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.49 134.51 38.75 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 120.815 1.01 . . . . 0.0 113.52 -163.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -118.37 146.44 44.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.914 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -100.42 121.72 42.0 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.281 0.562 . . . . 0.0 110.626 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.49 156.04 25.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.829 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -52.52 -37.18 57.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.593 0.235 . . . . 0.0 111.372 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -149.53 82.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -61.34 -42.9 99.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m -69.98 159.24 34.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.963 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -95.93 131.01 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.293 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -126.98 136.96 52.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.54 160.76 26.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -111.76 135.08 52.85 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.8 m -130.01 145.64 51.66 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.491 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -153.57 160.11 42.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.16 -176.85 48.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.761 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.35 159.13 44.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.9 166.89 30.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.2 mp -124.43 148.89 47.31 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -112.19 134.11 53.93 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 123.185 0.303 . . . . 0.0 110.44 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -123.0 136.79 54.99 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -123.57 87.56 52.16 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.034 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.37 -167.1 0.42 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.324 1.35 . . . . 0.0 111.926 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.3 mtt -55.96 -35.43 66.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.236 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.25 152.37 8.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.755 0.312 . . . . 0.0 110.778 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.528 ' OD1' HG13 ' A' ' 121' ' ' VAL . 25.3 p30 -80.8 11.99 3.53 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 ' OD1' ' A' ' 120' ' ' ASN . 35.2 m -123.69 157.03 30.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.9 148.91 38.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.293 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.2 mm? -110.5 141.63 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -127.25 127.01 43.71 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.264 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.78 130.29 53.3 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 t -143.06 147.73 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -111.73 123.38 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.597 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -113.82 138.07 50.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 111.073 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -122.53 134.75 54.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.499 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -130.51 132.07 45.42 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -119.28 126.38 51.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 132' ' ' ILE . 11.2 tt -127.42 118.36 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -47.07 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.945 0.778 . . . . 0.0 112.77 -159.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 24.3 p 149.93 -54.24 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 125.396 1.685 . . . . 0.0 109.387 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.4 t -109.29 136.0 46.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -170.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.18 117.96 35.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.16 134.14 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.64 0.257 . . . . 0.0 110.395 -175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 134.02 9.95 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.484 HG22 ' HB1' ' A' ' 10' ' ' ALA . 31.8 m -132.16 136.03 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.272 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -110.07 127.12 54.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.0 tt -129.43 139.57 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 111.108 -176.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.1 142.81 36.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.671 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -154.75 -177.92 28.56 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.956 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 123' ' ' LEU . 34.5 m -133.12 150.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.61 159.34 26.81 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.656 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -137.33 143.14 41.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -112.65 139.14 48.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.729 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.489 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.9 m -121.85 140.58 52.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -129.01 151.02 50.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 m -129.78 133.13 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.16 130.14 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.8 t -141.03 160.23 40.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.33 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 150.89 22.51 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.42 170.05 31.62 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.119 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -125.45 144.31 50.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.767 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.25 149.94 44.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.874 0.368 . . . . 0.0 111.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -111.32 140.05 46.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.263 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 t -117.48 137.11 52.75 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.103 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -130.09 138.82 50.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -137.02 121.38 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.382 0.611 . . . . 0.0 111.01 -171.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -77.17 123.35 26.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.911 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.1 -14.17 60.0 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 123.894 0.746 . . . . 0.0 112.577 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 62.7 tt0 -116.13 151.75 35.02 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.741 0.771 . . . . 0.0 109.793 176.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -97.42 151.23 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.81 142.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.733 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -83.98 162.08 20.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.119 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.21 164.03 22.58 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.14 139.84 11.36 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.36 167.98 27.89 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.907 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -132.43 158.06 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 44' ' ' THR . 18.6 t-20 -140.28 140.32 35.69 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.469 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -124.98 139.45 53.81 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -129.77 147.16 51.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.212 0.529 . . . . 0.0 111.845 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.96 139.08 54.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.7 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -130.59 139.6 50.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 111.242 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -131.99 141.48 49.29 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.29 148.2 44.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -92.81 140.2 29.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.69 -45.0 84.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -101.25 -13.25 18.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -147.17 72.94 12.09 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 134.48 19.7 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.858 1.039 . . . . 0.0 113.427 -169.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 135.18 51.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.492 -1.231 . . . . 0.0 107.765 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.72 116.7 5.17 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 -173.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.17 130.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.0 131.06 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.408 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.75 129.89 8.65 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 p -128.14 137.13 51.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.991 0.396 . . . . 0.0 111.106 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -113.56 121.84 45.44 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 25' ' ' ASN . 71.2 p -111.93 136.57 51.08 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.346 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.69 124.01 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -124.81 139.12 54.13 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.599 0.562 . . . . 0.0 110.123 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -157.68 154.06 27.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.239 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -137.15 126.83 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.7 t -109.28 131.89 54.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.954 0.406 . . . . 0.0 110.813 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -140.06 137.18 34.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.088 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 51' ' ' THR . 7.7 t -132.73 127.31 34.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.15 153.06 48.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.292 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 m -58.86 -38.82 79.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.804 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.3 t -147.18 150.23 34.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.434 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.06 21.07 56.37 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.787 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -58.44 147.19 32.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 117.542 0.671 . . . . 0.0 110.885 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -115.32 152.07 33.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.053 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.89 158.84 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -101.04 140.23 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.447 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -117.45 133.89 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.857 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -120.92 143.91 48.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -124.44 133.7 53.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.968 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -131.69 134.82 46.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.96 137.05 9.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.956 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' ILE . 16.5 tt -116.34 127.24 74.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -140.02 159.23 42.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 111.271 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.9 39.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.413 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.597 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -149.32 140.67 8.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.725 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.36 163.23 34.94 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 CA-C-N 119.75 1.775 . . . . 0.0 111.5 168.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.27 150.6 52.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.731 0.301 . . . . 0.0 110.476 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.05 130.1 52.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -113.79 107.79 16.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.1 mt -103.04 -72.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.533 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -84.86 138.88 32.28 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -53.48 -39.48 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.352 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -75.59 -41.55 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.865 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.9 124.9 49.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.108 0.48 . . . . 0.0 112.254 -173.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 m -124.11 150.21 45.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.485 172.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -124.98 151.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -148.05 156.31 42.49 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.178 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.6 145.58 17.02 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.597 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -135.04 153.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 111.559 -170.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.25 153.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.44 -172.04 37.16 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.834 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.5 146.58 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.44 14.32 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -119.92 140.39 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.64 128.14 8.17 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -119.76 141.04 49.81 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.833 0.373 . . . . 0.0 110.235 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.4 137.61 48.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.33 0.394 . . . . 0.0 109.961 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -98.51 119.9 38.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.992 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 t -145.09 165.85 27.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 p -98.93 125.83 44.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 178.6 149.27 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -80.54 142.06 53.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.07 134.46 52.93 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 120.825 1.017 . . . . 0.0 113.074 -166.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 98' ' ' TYR . 52.1 m -118.5 157.02 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.294 173.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 97' ' ' THR . 96.8 m-85 -97.39 121.55 39.42 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.813 175.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.33 154.31 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.939 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -57.68 -40.93 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.316 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -143.67 82.52 1.73 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.028 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.4 m -60.91 -39.56 89.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.317 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 m -118.93 154.0 33.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.781 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -96.06 144.82 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.064 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -136.03 154.17 51.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.116 0.484 . . . . 0.0 111.466 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.564 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -152.05 175.99 30.54 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 177.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -113.28 147.41 37.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.195 0.045 . . . . 0.0 111.026 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 96.4 p -134.06 148.77 51.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.011 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -149.84 153.79 37.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.333 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.78 -179.48 47.92 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.938 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.87 44.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.41 164.57 28.37 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.821 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -117.46 134.89 54.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.132 0.27 . . . . 0.0 110.547 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.82 136.69 54.95 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.596 ' OD1' ' HB2' ' A' ' 122' ' ' ALA . 8.6 m-80 -127.73 85.7 60.11 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.673 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.71 -168.03 0.29 Allowed 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.315 1.343 . . . . 0.0 111.791 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.22 -36.73 68.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.861 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -56.47 154.74 8.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -80.82 12.06 3.49 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p -121.62 143.88 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.596 ' HB2' ' OD1' ' A' ' 116' ' ' ASN . . . -114.93 151.58 33.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 tt -115.47 135.28 54.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.022 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.58 129.42 53.76 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -131.07 130.05 42.73 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -143.09 155.34 44.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 111.804 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -109.44 131.19 55.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.485 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -127.08 138.06 53.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.45 141.36 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.3 t -143.91 148.07 34.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.411 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -111.35 122.86 48.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.43 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.564 HD13 ' HA3' ' A' ' 106' ' ' GLY . 44.0 mm -127.26 94.88 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 16.69 95.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -164.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 75.4 -12.18 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -104.2 133.0 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 118.553 0.615 . . . . 0.0 109.709 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -104.01 119.67 39.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.187 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.8 p -121.21 136.96 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 110.951 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.19 134.0 9.89 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -130.3 144.04 51.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.13 0.465 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -111.75 126.86 55.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -116.56 126.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.41 137.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.823 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.07 -177.94 34.61 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.908 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.75 150.94 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.68 169.0 26.68 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.051 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -134.58 143.18 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -108.84 143.27 38.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.0 110.91 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.482 179.476 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 m -124.27 140.41 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -120.91 146.29 46.78 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 m -129.74 133.23 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.394 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -122.85 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 20.5 p -139.72 166.3 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.256 0.551 . . . . 0.0 110.841 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 150.8 22.65 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.94 167.96 32.29 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -123.21 143.76 49.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.787 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.31 145.85 39.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -121.47 140.08 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.1 p -124.04 146.05 48.81 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.002 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -122.34 130.41 53.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.931 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.192 0.52 . . . . 0.0 110.25 -175.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.14 121.88 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.472 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.58 -14.41 61.99 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.641 -173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 54.1 tp60 -116.37 147.67 41.39 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 117.655 0.728 . . . . 0.0 109.322 172.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.88 160.07 17.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 m120 66.61 142.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.925 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -92.21 162.12 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.337 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mtp -122.41 159.5 27.41 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.32 141.84 13.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.94 168.19 32.87 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.568 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.86 156.38 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' A' ' 44' ' ' THR . 75.9 m-20 -134.47 141.34 46.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.029 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.97 135.92 54.66 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -124.56 139.46 53.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.138 0.494 . . . . 0.0 111.411 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -122.03 139.12 54.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.608 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -128.15 140.04 52.15 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.927 0.394 . . . . 0.0 111.57 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.14 139.77 53.1 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.246 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -139.62 148.09 41.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.35 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -88.91 146.67 24.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.384 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.42 -45.01 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -101.25 -13.24 18.16 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 72.89 12.12 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.05 134.56 19.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 120.925 1.083 . . . . 0.0 113.422 -171.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -126.19 135.29 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 170.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.72 5.18 Favored Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.99 130.72 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -123.99 131.01 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.541 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.3 129.91 8.72 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -128.08 137.04 51.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.49 127.54 54.51 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 25' ' ' ASN . 47.7 m -113.63 130.33 56.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.655 0.264 . . . . 0.0 110.368 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -123.12 120.85 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -130.35 146.6 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.425 . . . . 0.0 111.258 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -135.94 160.3 39.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.37 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.68 129.11 42.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.744 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -117.09 136.68 52.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 111.031 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -135.81 154.4 51.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.267 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -120.98 141.4 50.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.275 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.15 149.54 51.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -62.39 -37.35 85.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -61.43 -36.02 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.252 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.12 56.54 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.296 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -97.63 124.99 42.14 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.007 0.903 . . . . 0.0 110.365 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -139.69 152.18 46.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.092 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -110.64 145.65 37.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -102.49 135.46 44.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.917 0.389 . . . . 0.0 111.243 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 89' ' ' LYS . 1.4 t-20 -114.21 130.32 56.62 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.99 143.69 48.9 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.66 -174.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -130.9 137.04 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.652 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -122.98 136.89 55.03 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.39 134.49 7.63 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.612 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' ILE . 16.0 tt -116.25 125.86 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.604 HG22 ' HA3' ' A' ' 84' ' ' GLY . 76.2 p -131.65 160.12 36.34 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.069 0.461 . . . . 0.0 111.42 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.11 147.41 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.24 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 142.09 9.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.834 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.3 163.07 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 119.835 1.818 . . . . 0.0 111.566 168.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -141.55 143.18 33.62 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.626 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -122.25 130.17 52.92 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.449 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -94.82 124.01 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.417 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.3 tt -135.8 154.59 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.425 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 58.25 169.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -56.07 -39.1 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -149.75 92.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 177.6 112.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.345 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.2 p -123.02 151.06 42.25 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 tt -133.53 151.77 33.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.401 ' HH ' ' HG ' ' A' ' 126' ' ' SER . 48.6 p90 -148.09 158.85 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.84 145.61 17.24 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.806 -1.317 . . . . 0.0 109.806 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.575 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.4 m -136.32 152.61 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.351 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.34 153.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.604 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -167.13 -177.88 39.1 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.992 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -125.98 138.81 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 138.16 12.12 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -122.34 137.84 54.72 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.67 140.55 12.95 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 72.4 tttt -132.64 133.87 44.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.61 134.05 51.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.677 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -100.21 120.87 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.597 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -143.88 164.28 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -98.86 125.92 44.38 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 179.96 149.32 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.791 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -80.56 142.13 53.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.23 134.53 39.53 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 120.822 1.015 . . . . 0.0 113.601 -165.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.7 m -118.38 157.13 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.742 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -96.84 121.64 38.92 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.366 0.603 . . . . 0.0 110.208 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -114.34 156.13 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -54.9 -38.54 67.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.782 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -131.95 167.39 19.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 t -121.94 -37.28 2.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.169 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -119.67 150.41 40.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.791 0.329 . . . . 0.0 110.5 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -98.89 145.1 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.83 154.35 51.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.049 0.452 . . . . 0.0 111.598 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.67 168.68 30.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.16 142.64 45.53 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.5 p -134.08 148.87 51.08 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.73 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -155.84 162.26 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.761 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.46 -178.81 47.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.68 158.39 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -156.2 174.41 34.06 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.836 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.29 147.04 50.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.328 . . . . 0.0 110.238 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -125.0 127.34 46.85 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.365 0.415 . . . . 0.0 110.088 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -133.24 158.92 41.68 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -141.14 142.37 27.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 119.316 -0.373 . . . . 0.0 110.369 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -95.74 -158.74 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.975 1.784 . . . . 0.0 111.052 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -55.61 -36.86 67.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.843 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.89 153.61 28.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.442 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -81.03 12.06 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.5 t -110.0 136.06 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 118.1 0.409 . . . . 0.0 110.097 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.02 155.61 26.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.354 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.5 mp -121.77 146.02 47.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -133.25 138.84 46.64 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.581 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.31 142.87 39.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.831 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.401 ' HG ' ' HH ' ' A' ' 80' ' ' TYR . 8.9 m -143.12 157.0 44.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.72 122.95 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.71 137.99 52.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.205 0.526 . . . . 0.0 111.652 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -131.96 139.42 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.201 174.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -136.36 145.04 44.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.829 0.347 . . . . 0.0 110.784 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -116.97 121.01 40.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -127.42 94.76 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 14.74 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -164.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.6 m 73.14 -7.6 1.47 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.79 134.53 43.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.596 0.635 . . . . 0.0 109.35 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -104.08 120.98 42.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.36 133.13 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.14 129.12 7.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.67 134.27 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.081 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -107.69 131.14 54.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.34 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 10' ' ' ALA . 2.7 pp -123.94 139.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.06 137.19 29.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.612 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.54 179.24 32.53 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.877 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.93 156.43 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -142.24 157.97 26.7 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.668 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -131.94 143.05 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -109.16 141.22 41.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.574 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.548 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 m -122.46 140.98 52.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.317 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -129.42 144.22 51.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.2 p -128.32 133.27 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.347 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.36 127.92 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -134.27 148.89 50.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.87 22.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.38 170.02 34.45 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.0 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -126.49 144.29 50.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.969 -0.615 . . . . 0.0 109.998 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.01 144.79 39.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.045 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -116.8 140.09 49.83 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -120.19 139.73 52.2 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.065 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -110.9 139.08 46.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.185 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -103.07 107.89 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.377 0.608 . . . . 0.0 110.079 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -84.16 121.9 28.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.973 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 -14.63 59.22 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.624 -174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.635 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 63.3 tt0 -116.55 149.11 40.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 117.697 0.748 . . . . 0.0 109.59 170.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.14 97.79 9.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.251 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.64 158.01 1.0 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.083 0.468 . . . . 0.0 111.017 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -130.61 146.85 52.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.303 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -131.27 158.15 41.38 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.79 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.34 138.78 9.27 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.97 165.28 29.74 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.894 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.19 154.23 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -144.09 150.1 37.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.805 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.3 mt -123.81 136.55 54.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.437 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -120.37 139.35 52.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 111.225 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -121.9 139.09 54.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.769 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -132.46 140.12 48.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.426 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -119.64 141.92 48.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.371 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -132.54 145.27 51.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.346 . . . . 0.0 111.155 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -100.71 140.28 35.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.8 -45.17 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.17 -13.37 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -147.23 72.92 12.04 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.95 134.5 19.81 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 120.841 1.027 . . . . 0.0 113.349 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -126.13 135.16 51.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.792 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.89 116.84 5.23 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 119.863 -1.16 . . . . 0.0 110.281 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.96 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.5 mt -123.97 131.04 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.61 129.9 7.69 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -128.02 137.0 52.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.883 0.373 . . . . 0.0 111.364 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -112.56 123.28 49.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 m -118.38 136.31 53.82 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.089 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -120.07 122.9 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.105 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -126.93 143.7 51.21 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.101 0.25 . . . . 0.0 110.7 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -128.85 148.12 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.914 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -86.8 137.76 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.2 p -87.82 150.08 23.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.397 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -101.83 137.46 40.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.805 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -136.5 148.04 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.46 123.95 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.685 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -175.22 -67.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.417 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.7 p -64.21 -33.2 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.34 -6.95 61.66 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.288 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -105.65 166.39 10.49 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.057 0.928 . . . . 0.0 110.667 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -116.13 128.7 55.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.53 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -144.93 115.97 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.542 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -102.69 127.6 49.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.47 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -125.9 126.57 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -133.03 150.54 52.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.11 157.24 42.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.347 0.594 . . . . 0.0 112.212 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.21 140.64 52.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.597 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 136.08 9.1 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.605 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.29 126.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p -129.84 157.6 41.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.06 0.457 . . . . 0.0 111.159 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.21 144.97 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.525 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -158.33 149.51 19.82 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.713 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 163.28 34.46 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.123 1.882 . . . . 0.0 112.382 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.792 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.51 154.98 47.8 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.777 0.322 . . . . 0.0 110.412 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -122.03 130.16 53.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -113.47 132.1 55.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 76' ' ' TRP . 15.5 tt -126.27 144.37 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.326 175.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -79.64 139.89 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.451 . . . . 0.0 111.425 -174.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.87 46.87 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.437 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.548 ' HB3' HG23 ' A' ' 73' ' ' ILE . 74.9 t-105 -160.59 -80.66 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.167 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 73' ' ' ILE . . . 177.76 178.85 0.31 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -123.98 149.15 46.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.952 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 113' ' ' LEU . 48.5 pt -130.64 151.93 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -147.9 158.95 44.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.379 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.61 145.39 16.77 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.525 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.5 m -137.39 156.61 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.523 -171.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.0 t -137.26 153.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.2 -176.39 37.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.943 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.96 148.81 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.04 140.05 11.43 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -117.12 130.81 56.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.16 151.13 19.05 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -142.02 141.22 32.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.64 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -130.21 155.43 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.156 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -107.4 119.88 40.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.17 0.51 . . . . 0.0 111.518 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.0 t -145.16 165.61 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.574 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.0 m -98.95 125.4 44.38 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.785 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -165.22 149.4 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.278 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -80.79 114.86 51.61 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 169.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.34 134.53 19.15 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 CA-C-N 119.814 0.969 . . . . 0.0 113.964 -164.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.3 m -118.51 120.87 38.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.871 166.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -155.13 129.8 9.23 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.628 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -114.06 121.79 44.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.809 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 46.35 29.19 0.82 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -145.81 148.96 33.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.805 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.3 p -143.32 -30.59 0.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.032 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.4 p -131.0 168.69 16.95 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.725 0.297 . . . . 0.0 110.905 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.85 130.26 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.213 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -112.91 139.34 48.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.156 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.39 156.61 24.12 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -113.1 141.35 47.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.475 0.138 . . . . 0.0 110.634 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.2 m -134.07 149.83 51.16 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.229 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -154.0 159.39 41.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.79 47.68 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.571 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.9 159.61 41.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.69 158.25 27.61 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.734 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' ILE . 68.3 mt -121.55 142.19 50.33 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -113.29 132.51 55.53 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.12 0.262 . . . . 0.0 110.377 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -122.92 139.61 53.87 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.221 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -128.68 83.05 67.34 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.622 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -75.15 -164.71 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.356 1.37 . . . . 0.0 111.704 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -54.88 -35.09 63.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.45 151.35 10.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.814 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -81.02 12.14 3.56 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 146' ' ' TYR . 34.6 m -123.64 157.01 30.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.149 -0.344 . . . . 0.0 110.273 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.74 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.7 mt -113.9 141.39 47.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.97 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -123.33 126.97 47.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -121.64 129.38 52.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -142.93 144.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.466 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -112.44 120.28 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.468 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -124.91 138.11 54.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 111.405 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -126.41 148.66 49.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.548 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.2 p -140.75 148.2 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -116.04 125.34 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.902 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.44 94.93 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 16.38 95.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -165.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 m 75.43 -11.65 1.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.342 170.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -104.05 133.19 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 118.667 0.667 . . . . 0.0 109.358 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -104.05 127.79 51.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.626 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.24 131.01 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.13 128.7 7.48 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 8.9 t -134.1 144.07 48.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 111.405 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -107.98 134.03 51.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.517 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.474 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -118.16 128.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.48 136.8 38.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.806 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.52 -179.4 31.49 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.007 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.94 149.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.01 26.45 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.057 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.482 ' CE1' HG12 ' A' ' 121' ' ' VAL . 77.1 m-85 -123.33 143.06 50.34 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -111.91 135.88 51.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.301 . . . . 0.0 110.634 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.533 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 m -122.07 140.45 52.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -123.97 140.49 52.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.405 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 147' ' ' ARG . 66.0 p -129.47 133.33 47.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.317 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.05 130.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 23.5 p -138.78 168.21 20.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.186 0.517 . . . . 0.0 110.977 -176.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 150.7 22.48 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 169.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.56 169.47 33.92 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.844 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -124.51 144.35 50.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.975 -0.613 . . . . 0.0 110.319 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.1 147.37 41.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -125.71 140.11 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.463 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 m -122.38 140.01 53.18 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.854 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -122.47 139.05 54.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.24 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.11 108.0 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.325 0.583 . . . . 0.0 110.291 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -80.5 121.88 26.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.04 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.35 -14.51 54.33 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.746 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 69.0 tp60 -116.42 145.17 43.46 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.621 0.71 . . . . 0.0 109.612 172.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.4 mtp -87.14 98.02 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.997 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -171.4 137.09 1.06 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.223 0.535 . . . . 0.0 111.817 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -134.96 134.16 40.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.1 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.4 mtm -132.62 150.74 52.11 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.715 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.42 135.4 8.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.683 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.94 168.23 30.01 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.387 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.34 155.66 38.35 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -144.05 150.12 37.71 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.754 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.9 mt -123.84 145.98 48.7 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.25 135.88 51.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.46 . . . . 0.0 111.214 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -121.96 139.18 53.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.544 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HG2' HG22 ' A' ' 40' ' ' ILE . 79.5 mtp180 -118.99 140.2 50.4 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.361 0.413 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -126.51 137.19 53.34 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.165 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -131.03 148.15 52.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 111.68 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -96.55 145.32 25.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.424 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -45.12 66.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.19 -13.3 16.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -147.15 79.28 9.95 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 134.44 31.91 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 120.708 0.939 . . . . 0.0 113.013 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.26 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.009 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.76 5.19 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.88 131.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 109.922 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 29' ' ' ARG . 30.6 pt -123.92 137.14 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.049 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.49 129.9 7.91 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 t -128.13 136.98 51.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -116.48 126.1 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 m -121.14 135.63 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.52 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -126.72 125.75 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.683 HG22 ' HA3' ' A' ' 23' ' ' GLY . 67.5 p -125.32 148.88 48.54 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.424 . . . . 0.0 110.206 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -139.85 151.41 45.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.93 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -133.31 134.45 43.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 m -118.27 144.26 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -133.24 139.17 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.286 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -122.81 130.36 52.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.908 0.385 . . . . 0.0 110.451 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.11 154.78 47.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.212 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.3 p -59.65 -37.32 78.38 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.923 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.7 p -65.74 -32.95 74.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.491 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.87 0.5 62.11 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 121.254 -0.498 . . . . 0.0 113.413 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -86.34 118.84 26.03 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.083 0.941 . . . . 0.0 110.723 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.67 152.11 48.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -110.53 129.76 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.388 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.8 123.35 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.985 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -128.05 130.82 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.286 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -126.23 143.87 50.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.36 139.34 51.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -133.9 138.67 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.61 137.15 8.95 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.616 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.7 tt -116.24 131.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.6 p -131.51 159.22 38.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.053 0.454 . . . . 0.0 111.347 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.88 145.76 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.454 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 138.5 6.55 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.174 -1.013 . . . . 0.0 112.887 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.3 163.09 35.33 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 CA-C-N 119.973 1.886 . . . . 0.0 111.492 168.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.39 153.48 42.73 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.008 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -122.02 130.18 53.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.372 0.42 . . . . 0.0 110.675 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.84 139.92 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.742 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.26 124.87 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 54.44 39.53 31.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.057 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -153.52 166.04 33.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 157.78 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.093 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -113.35 151.15 31.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.654 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.0 mt -124.91 151.77 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -146.07 157.08 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.181 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.9 145.68 17.64 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.454 HG12 ' HA3' ' A' ' 68' ' ' GLY . 30.8 m -136.4 150.54 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.154 0.477 . . . . 0.0 111.649 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.655 HG12 ' CD2' ' A' ' 109' ' ' TYR . 34.3 m -135.5 153.9 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.89 -177.8 39.96 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.343 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.49 139.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.04 140.47 11.92 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -128.07 147.02 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.642 0.258 . . . . 0.0 110.473 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -120.21 137.61 12.37 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -129.34 140.92 51.22 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.753 0.326 . . . . 0.0 110.403 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -131.57 156.27 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.92 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -53.48 140.4 28.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.9 m -114.42 142.86 45.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 111.756 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 94' ' ' GLU . 43.9 m -111.05 156.17 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.013 175.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 93' ' ' THR . 96.0 mt-10 -77.68 104.8 8.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.243 0.544 . . . . 0.0 110.668 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.18 147.57 38.79 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.981 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.68 155.19 22.7 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.171 1.247 . . . . 0.0 110.776 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.0 m -79.84 129.57 34.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.336 0.588 . . . . 0.0 111.761 -170.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -151.75 162.11 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.467 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -79.56 121.74 25.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.772 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 178.95 139.67 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.791 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.03 99.8 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -64.71 -43.43 93.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.619 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p -74.06 159.73 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -108.52 139.05 43.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -136.09 155.42 50.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.35 . . . . 0.0 111.329 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.54 166.37 31.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.12 142.93 45.19 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 m -128.38 143.69 51.04 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.216 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.655 ' CD2' HG12 ' A' ' 83' ' ' VAL . 24.2 m-85 -140.89 149.13 41.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.625 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.28 179.3 45.71 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.211 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.46 153.17 39.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.7 168.13 28.06 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.16 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 140.43 52.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.22 131.81 54.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.587 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.15 153.33 51.63 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.797 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -129.17 88.79 50.11 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.99 -163.43 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.239 1.292 . . . . 0.0 111.429 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -54.01 -34.96 61.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.309 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -56.21 152.18 11.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.774 0.321 . . . . 0.0 110.653 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -80.88 12.01 3.56 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.11 157.04 34.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 O-C-N 122.067 -0.396 . . . . 0.0 110.314 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.37 37.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.991 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.7 mp -116.62 140.53 49.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -177.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -122.55 127.56 49.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.386 0.429 . . . . 0.0 110.172 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.04 131.64 50.89 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.535 0.522 . . . . 0.0 109.648 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.0 t -143.16 153.34 42.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.042 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -109.93 122.07 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 139' ' ' THR . 45.2 tp10 -116.97 136.51 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -127.91 139.1 52.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.9 m -131.85 146.3 52.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -114.27 122.8 47.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.639 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.456 HD12 HG21 ' A' ' 137' ' ' VAL . 75.9 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 13.32 95.25 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -164.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m 74.78 -9.66 1.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.8 t -104.03 135.63 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 118.514 0.597 . . . . 0.0 109.552 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -102.4 122.27 43.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.53 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.456 HG21 HD12 ' A' ' 132' ' ' ILE . 44.7 t -114.21 131.37 66.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 123.05 5.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 128' ' ' GLU . 9.2 t -134.09 143.45 48.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -115.67 135.93 53.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.638 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.578 HG22 ' HB2' ' A' ' 10' ' ' ALA . 46.7 pt -116.33 137.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.41 134.42 29.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.456 173.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.72 173.84 32.36 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.249 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.0 t -129.41 145.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.93 158.14 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.785 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -133.6 143.05 48.4 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 4' ' ' THR . 27.4 ptt180 -125.62 144.45 50.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 0.0 111.319 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.462 178.643 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -133.28 141.13 47.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -124.35 141.68 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.374 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 m -129.39 133.09 47.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.06 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.13 133.34 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -139.69 154.8 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.781 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.71 150.87 22.0 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.78 170.04 31.85 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.134 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -119.92 144.13 47.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.583 . . . . 0.0 109.545 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.18 146.77 40.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.832 0.349 . . . . 0.0 111.252 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -121.21 140.15 52.42 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -118.54 137.76 53.0 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.814 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -111.51 139.04 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.334 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.85 107.97 19.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.238 0.542 . . . . 0.0 109.987 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -84.78 121.82 28.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.969 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.31 -14.71 60.27 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.68 -174.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.624 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 50.9 tt0 -116.5 144.95 43.69 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 117.683 0.742 . . . . 0.0 109.472 170.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.1 mtt -94.09 97.78 10.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.323 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.46 155.37 0.86 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.018 0.437 . . . . 0.0 111.093 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -130.99 146.41 52.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.497 173.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.0 mtp -132.65 158.57 41.95 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.968 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.14 141.18 12.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.25 168.15 31.94 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.9 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -128.35 150.72 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' A' ' 44' ' ' THR . 87.0 m-20 -125.75 139.49 53.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.475 0.179 . . . . 0.0 111.391 -176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.0 mt -122.89 137.21 55.0 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -128.55 146.57 50.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 112.039 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -121.86 139.04 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.765 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -120.96 139.32 53.42 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.295 0.372 . . . . 0.0 110.913 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -129.55 141.72 50.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -140.07 145.96 38.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.707 0.289 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -97.74 141.57 30.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.184 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -68.48 -45.04 73.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -104.18 -13.41 16.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -147.29 74.28 11.76 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.12 134.52 19.54 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 120.927 1.085 . . . . 0.0 113.497 -170.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.13 135.22 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.77 116.61 5.15 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 119.7 -1.238 . . . . 0.0 110.125 -171.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.96 130.73 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -123.89 131.82 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.4 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.8 129.86 8.88 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -127.94 137.09 52.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.987 0.394 . . . . 0.0 111.296 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -112.29 127.88 56.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.587 HG23 ' OD1' ' A' ' 25' ' ' ASN . 58.1 m -113.82 129.64 56.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.38 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -118.72 120.97 39.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -127.14 146.24 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.177 0.298 . . . . 0.0 110.559 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -128.94 146.95 50.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.287 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -125.04 135.78 53.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.815 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.6 p -115.31 146.48 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -139.01 140.14 38.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.308 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -123.57 134.35 53.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.821 0.343 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.04 151.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -59.04 -37.75 77.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.011 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -57.47 -35.06 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.37 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 -5.63 54.89 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.344 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.6 142.58 56.41 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 118.083 0.942 . . . . 0.0 110.265 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -115.08 131.97 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.819 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -114.51 126.78 55.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.96 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -97.89 126.06 43.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.434 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -124.09 141.03 52.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -137.54 143.95 41.86 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.962 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -133.68 132.22 40.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -128.21 138.94 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.5 137.01 8.95 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.555 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.3 t -140.11 160.18 40.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.039 0.447 . . . . 0.0 111.753 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.78 151.71 37.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.328 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.592 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.4 135.61 5.29 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.035 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.38 163.22 34.89 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 CA-C-N 120.057 1.928 . . . . 0.0 111.992 167.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 80' ' ' TYR . . . -109.0 153.96 22.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.677 0.275 . . . . 0.0 110.811 178.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -122.16 130.11 52.92 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -104.83 107.91 19.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 0.0 110.817 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -140.25 125.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 58.79 112.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.13 0.491 . . . . 0.0 110.065 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -51.35 -32.29 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.083 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -52.26 -36.8 53.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.82 151.18 40.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.264 0.554 . . . . 0.0 112.078 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -124.1 151.27 44.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.121 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.7 mt -124.84 151.7 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.818 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 66.3 m-85 -134.06 147.92 50.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.91 145.38 17.37 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' HA3' ' A' ' 68' ' ' GLY . 29.6 m -138.49 154.1 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.597 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.11 153.65 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 170.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.89 -178.59 39.45 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.865 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.35 140.69 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.44 148.96 18.86 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -128.07 144.24 51.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.28 135.76 10.12 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -130.56 141.19 50.47 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -120.3 156.16 31.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.149 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -54.61 136.83 44.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.2 m -127.46 148.39 50.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.171 0.51 . . . . 0.0 111.25 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 94' ' ' GLU . 35.9 m -98.94 156.26 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.262 175.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 93' ' ' THR . 46.4 tp10 -77.78 104.81 8.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.523 0.677 . . . . 0.0 110.304 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -115.29 147.61 38.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.97 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 155.26 21.31 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.049 1.166 . . . . 0.0 110.349 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 p -79.73 120.98 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.426 0.631 . . . . 0.0 111.516 -169.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -154.22 158.64 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.397 177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -84.01 121.95 28.1 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.491 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -177.06 -63.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.44 121.45 26.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.303 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.6 m -126.57 143.74 51.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.334 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.7 p -66.91 163.19 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.281 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -98.77 139.27 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.514 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -136.06 155.12 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.02 32.84 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.08 142.98 45.11 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.9 m -133.99 147.69 51.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.972 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -152.85 161.39 42.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.0 -177.14 47.71 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.563 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.8 43.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.589 0.233 . . . . 0.0 110.543 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.3 161.55 27.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.552 -178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.2 mp -125.3 152.91 44.05 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -109.89 139.23 45.2 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -128.34 156.92 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.785 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -115.51 84.53 12.27 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.671 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.26 -64.71 0.13 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.349 1.366 . . . . 0.0 112.242 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.0 mmm -95.55 -73.47 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.598 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -175.31 -65.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.887 0.375 . . . . 0.0 110.789 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -85.35 11.17 10.77 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.43 141.06 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-N 117.956 0.344 . . . . 0.0 110.179 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 140.95 48.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 144' ' ' VAL . 18.0 tp -116.24 132.82 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.66 134.49 53.74 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.482 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.425 ' HE1' HD23 ' A' ' 123' ' ' LEU . 96.4 m-85 -127.79 138.78 52.85 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.933 0.771 . . . . 0.0 109.536 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.449 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.5 m -142.98 157.02 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.109 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -109.97 121.65 45.73 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -116.31 134.38 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.008 0.432 . . . . 0.0 111.306 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -130.09 141.26 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.288 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -137.96 146.34 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -118.85 123.21 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.797 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.6 mt -127.49 94.88 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 15.06 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -165.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t 74.45 -9.06 1.36 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.88 134.46 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.11 129.43 51.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.673 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.0 t -120.06 135.11 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 123.99 5.72 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.418 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.4 m -125.55 133.86 52.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.39 132.51 54.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.375 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.911 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 pt -121.99 141.51 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.278 0.561 . . . . 0.0 111.118 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 138.23 29.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.425 172.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.08 178.49 36.12 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.155 -1.022 . . . . 0.0 112.168 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 123' ' ' LEU . 35.8 m -133.19 151.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.67 162.68 26.98 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.89 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -136.9 143.08 42.78 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -119.08 145.59 45.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.122 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.763 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.494 HG21 ' NH2' ' A' ' 147' ' ' ARG . 66.0 p -123.85 141.26 52.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -126.32 148.57 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.206 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -127.56 133.24 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.86 127.99 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.64 HG23 ' C ' ' A' ' 144' ' ' VAL . 7.1 m -137.49 146.65 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.245 0.341 . . . . 0.0 110.483 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 150.86 21.44 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.17 170.1 33.8 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.747 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -124.4 144.23 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.164 -0.518 . . . . 0.0 109.698 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 144.38 38.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.28 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -118.53 140.04 50.51 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -119.76 138.56 53.25 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.993 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -103.49 139.02 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.67 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -117.68 107.93 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -173.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -86.25 121.86 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.573 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.51 59.48 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.726 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.67 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.8 tp60 -116.48 145.33 43.38 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 117.611 0.705 . . . . 0.0 109.221 171.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -88.0 160.43 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 71.45 141.86 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.964 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -90.93 162.08 14.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.071 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -123.43 153.07 40.94 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.552 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.96 138.61 10.04 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.01 168.18 32.37 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.199 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.65 153.49 39.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' C ' HD22 ' A' ' 26' ' ' LEU . 65.5 m-20 -134.48 141.14 46.66 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.07 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.86 135.97 54.7 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.72 140.91 51.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.143 0.497 . . . . 0.0 111.968 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -127.63 139.16 52.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.705 175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.11 140.33 39.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.837 0.351 . . . . 0.0 111.764 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -122.99 141.95 51.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -122.13 145.88 47.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -96.49 139.89 31.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.375 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -66.93 -45.07 78.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -173.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.1 -13.33 16.3 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.03 134.39 36.79 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.765 0.977 . . . . 0.0 113.075 -169.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 tp -126.27 135.29 51.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.234 171.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.563 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.74 116.71 5.18 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -175.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.92 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 80' ' ' TYR . 71.3 mt -124.05 130.81 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.36 129.98 6.44 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -126.3 137.11 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.931 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -106.59 124.31 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' CG ' ' A' ' 25' ' ' ASN . 49.6 p -114.02 134.57 54.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -175.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -127.82 120.97 28.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 18.4 p -128.72 154.47 46.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.847 0.356 . . . . 0.0 110.329 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -130.66 155.16 47.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.942 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -101.99 138.02 39.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.401 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.0 t -94.36 140.07 30.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.382 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -140.05 157.13 46.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -110.3 141.3 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.172 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.52 139.19 32.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.853 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -169.55 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.192 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -62.69 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.039 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.01 -7.09 52.17 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 121.45 -0.405 . . . . 0.0 113.289 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.04 118.23 26.29 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.94 0.87 . . . . 0.0 110.099 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -113.39 134.96 54.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 110.759 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -143.21 161.81 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -131.08 125.37 33.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.394 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -114.26 131.81 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -124.44 143.91 50.37 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -132.16 127.47 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.22 0.325 . . . . 0.0 110.547 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -121.76 137.64 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.75 135.14 7.52 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.749 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.524 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.31 133.6 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.268 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -140.21 159.24 42.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.029 0.442 . . . . 0.0 111.467 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.69 150.59 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.482 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.86 156.7 28.27 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.247 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.36 163.37 34.67 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.656 2.237 . . . . 0.0 113.321 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -128.45 155.05 45.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.193 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.09 130.15 53.0 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -110.16 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 74' ' ' ASN . 43.4 mm -120.85 163.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' N ' HG22 ' A' ' 73' ' ' ILE . 26.6 m120 -47.37 -32.81 5.22 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.41 138.99 47.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -51.38 -32.61 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.6 140.33 58.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -124.08 151.1 44.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.563 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -124.98 151.6 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 40' ' ' ILE . 43.5 p90 -148.15 158.66 44.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.388 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.63 145.66 17.12 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.76 157.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.396 0.598 . . . . 0.0 111.723 -171.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 109' ' ' TYR . 42.0 t -131.96 153.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.8 178.86 37.5 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.091 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.61 144.72 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.59 150.9 19.8 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.801 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -123.73 135.03 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.05 132.84 8.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -138.08 137.57 37.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -138.81 156.07 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -101.01 124.99 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.471 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -145.02 173.01 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -98.76 152.66 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -174.68 149.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.431 -0.507 . . . . 0.0 111.229 -171.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -80.53 147.56 63.84 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -55.27 134.75 65.64 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 120.732 0.955 . . . . 0.0 112.342 -162.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 98' ' ' TYR . 33.0 m -118.27 157.33 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.633 -175.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' N ' HG22 ' A' ' 97' ' ' THR . 89.8 m-85 -96.61 153.81 17.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -71.89 137.6 47.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.314 0.578 . . . . 0.0 111.621 -170.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -166.54 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.814 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -151.37 81.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.9 t -70.76 -37.11 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.6 m -114.95 154.47 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.768 0.318 . . . . 0.0 110.638 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -95.99 136.12 36.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.386 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -116.89 140.27 49.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.561 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.61 156.12 24.55 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.469 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.13 144.18 43.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -130.54 144.56 51.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.685 0.279 . . . . 0.0 111.378 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.475 ' HD2' HG22 ' A' ' 83' ' ' VAL . 40.1 t80 -142.14 144.55 33.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.419 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.22 179.33 43.89 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.35 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.86 159.14 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.26 158.33 27.44 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.688 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.82 139.84 53.58 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -112.69 131.78 55.49 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.117 0.261 . . . . 0.0 110.308 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -122.88 137.41 54.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.588 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 7.6 t-20 -142.54 84.46 11.07 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.92 79.54 3.35 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.468 1.445 . . . . 0.0 112.492 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 91.3 mmm 51.52 32.55 9.03 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.703 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 78.6 tt0 -124.02 152.78 42.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.83 7.72 9.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -123.44 137.81 55.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.08 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.393 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -111.34 140.56 45.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -125.41 126.98 45.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.43 132.57 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -135.77 149.34 49.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.128 0.49 . . . . 0.0 111.61 -176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.89 118.85 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -118.99 134.69 55.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.029 0.443 . . . . 0.0 111.287 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.81 135.16 52.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -131.22 145.37 51.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -117.97 122.23 42.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.578 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.0 mt -127.41 94.77 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 15.11 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 74.75 -9.92 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 171.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.4 t -103.45 134.57 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 118.485 0.584 . . . . 0.0 109.663 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -103.95 127.65 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.779 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -121.02 133.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 124.49 5.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.526 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.2 m -123.22 137.29 54.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.051 0.453 . . . . 0.0 111.305 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -108.38 122.13 46.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.368 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.485 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.4 mt -116.2 128.69 73.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.47 138.74 34.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.096 174.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.71 -178.03 35.28 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.674 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.64 ' C ' HG23 ' A' ' 6' ' ' THR . 35.5 m -137.63 153.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.9 165.8 28.02 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.837 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -133.15 143.2 49.07 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.494 ' NH2' HG21 ' A' ' 2' ' ' THR . 66.9 ttt180 -99.32 139.32 35.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -177.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.986 178.875 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.2 m -122.54 140.89 52.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -129.49 151.81 49.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.438 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.7 m -131.0 133.17 45.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.61 132.61 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -141.05 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.87 151.0 23.0 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.95 170.05 32.55 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.888 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -125.17 144.17 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.246 -0.477 . . . . 0.0 109.817 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.16 146.54 40.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.169 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -114.18 140.1 48.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.361 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 m -118.79 140.34 50.11 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.957 -174.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -113.14 138.49 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.238 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.73 107.95 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.208 0.528 . . . . 0.0 110.222 -175.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -82.97 121.83 27.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.922 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -14.58 60.89 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.73 -175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.601 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.0 tp60 -116.59 141.33 48.33 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.602 0.701 . . . . 0.0 109.431 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.3 mtm -91.59 97.81 11.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.35 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -177.6 152.97 0.84 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 111.37 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -124.82 143.68 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.9 mtm -132.41 158.65 41.45 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.219 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.0 136.39 7.51 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.72 168.03 29.27 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.601 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.56 153.51 40.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.626 ' C ' HD22 ' A' ' 26' ' ' LEU . 58.8 t30 -131.55 138.67 49.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.197 -175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 135.87 54.66 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -134.23 139.17 45.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.047 0.451 . . . . 0.0 111.48 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.96 136.37 54.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.963 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -138.04 140.21 39.97 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 0.0 111.072 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -131.11 142.03 50.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.823 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -131.15 147.71 52.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -93.28 141.37 28.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.545 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.17 -45.14 77.87 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -103.85 -13.32 16.44 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 p -147.11 75.54 11.61 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.1 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 120.874 1.049 . . . . 0.0 113.418 -168.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.0 tp -126.26 135.1 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.03 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.778 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.95 116.82 5.23 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -175.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.89 130.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.596 HD11 ' CG1' ' A' ' 82' ' ' VAL . 41.9 pt -130.34 144.6 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.08 130.01 5.93 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -126.82 137.17 53.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -117.26 126.75 53.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -122.76 143.38 49.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.581 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -131.69 128.5 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.475 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.9 m -129.13 145.93 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.99 154.36 46.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.114 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -95.2 138.1 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.292 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.3 t -102.77 129.59 49.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.13 157.1 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -69.14 136.03 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.222 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 134.91 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.801 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 t -137.96 141.25 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.358 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -68.04 145.46 54.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.694 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.48 -7.04 20.5 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.44 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -123.07 111.52 16.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 118.125 0.962 . . . . 0.0 110.662 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -133.44 128.52 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.64 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -148.51 154.86 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -131.12 125.4 33.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -120.69 128.31 52.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.839 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -129.43 143.86 51.01 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.758 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -134.44 131.5 38.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.343 0.402 . . . . 0.0 110.415 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -128.98 143.52 50.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.86 137.2 8.28 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.668 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -116.14 127.56 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -130.76 160.54 34.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.044 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.55 157.79 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.571 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.01 163.02 30.36 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.469 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.37 163.32 34.74 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.758 2.305 . . . . 0.0 113.627 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.778 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.73 151.75 50.47 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.18 130.27 53.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.607 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -94.52 112.98 24.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.3 tt -128.89 140.01 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -55.11 -38.2 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.221 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.78 136.73 54.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.59 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 91.0 m95 61.08 -84.33 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 76' ' ' TRP . . . -178.63 -98.34 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -124.25 150.93 44.77 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.995 0.816 . . . . 0.0 109.771 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.467 HD12 HD21 ' A' ' 113' ' ' LEU . 16.0 tt -132.15 151.71 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -145.82 153.24 40.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.064 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.06 145.7 17.53 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.596 ' CG1' HD11 ' A' ' 40' ' ' ILE . 34.7 m -141.06 157.63 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.065 0.459 . . . . 0.0 111.693 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.5 153.72 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.18 -176.05 37.08 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.944 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.78 143.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.03 154.56 21.22 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.307 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -125.87 145.48 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.7 140.23 11.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -128.47 132.89 48.4 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -118.83 139.27 51.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.265 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -97.85 119.86 37.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 110.801 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -145.2 167.24 23.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 t -98.93 125.82 44.45 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -154.96 149.33 26.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -80.48 136.9 51.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 171.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.63 134.34 63.39 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 119.75 0.946 . . . . 0.0 112.9 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 98' ' ' TYR . 44.8 m -118.54 157.16 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.601 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 97' ' ' THR . 71.9 t80 -96.72 121.68 38.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -114.39 156.07 25.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.173 -176.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -57.99 -41.1 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.197 173.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -143.15 154.37 43.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.2 m -66.42 -39.86 89.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m -123.08 162.03 23.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.92 146.37 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -134.04 156.85 47.49 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 111.635 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -147.25 168.79 28.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.16 145.53 40.8 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 t -134.06 144.14 48.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.269 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -146.51 151.31 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.027 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.13 47.82 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.975 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.62 154.65 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.27 166.65 28.06 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.763 -176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.467 HD21 HD12 ' A' ' 79' ' ' ILE . 73.5 mt -130.4 155.05 47.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.81 141.36 52.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.719 0.295 . . . . 0.0 110.805 178.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.1 158.98 40.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.112 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 t30 70.28 66.12 0.44 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.677 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -90.13 -24.65 0.54 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.809 1.673 . . . . 0.0 113.055 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.3 mtp -56.4 -35.81 68.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.564 0.221 . . . . 0.0 111.329 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.77 174.09 7.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.299 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -80.97 3.09 24.13 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.02 133.73 68.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.89 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.436 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -112.3 142.06 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -131.13 139.71 49.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.449 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.33 144.61 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.91 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.6 t -143.19 152.58 41.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 111.049 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -105.8 114.91 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -114.19 138.07 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -133.2 140.84 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.755 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -133.57 147.43 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 111.011 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -117.08 120.09 37.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.555 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -127.46 94.83 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 16.49 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -165.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 p 73.35 -8.57 1.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.34 132.35 51.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.659 0.663 . . . . 0.0 109.335 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.94 122.43 45.18 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.632 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -113.82 132.76 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 125.74 6.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.561 HG22 ' HB1' ' A' ' 10' ' ' ALA . 39.1 m -128.76 133.85 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.257 -176.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -109.84 128.78 55.55 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -126.25 137.12 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 111.132 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -138.65 144.69 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.714 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.89 -177.94 33.44 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.65 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.26 147.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.03 164.16 26.52 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.633 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -136.46 143.2 43.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -118.3 143.98 46.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 111.08 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.884 179.685 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p -122.62 141.14 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.378 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -127.64 141.97 51.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.0 m -128.53 133.16 48.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.138 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.26 134.45 66.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 144' ' ' VAL . 3.8 m -134.03 147.4 50.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 150.89 20.46 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.35 170.19 34.46 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.236 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -121.38 143.57 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.83 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 111.321 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -117.36 140.12 49.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.441 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -116.81 131.13 57.03 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.806 -174.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -108.8 139.04 44.18 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -119.34 107.99 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 110.747 -173.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -84.67 121.82 28.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.741 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.37 -14.69 58.84 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.663 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.653 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.46 147.67 41.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.664 0.732 . . . . 0.0 109.27 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 93.1 mmm -89.58 164.92 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.966 0.412 . . . . 0.0 111.107 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 68.0 116.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.342 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -80.62 162.23 24.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.041 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.416 ' HB3' HG22 ' A' ' 46' ' ' THR . 80.4 mtp -133.18 164.02 27.98 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.745 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.84 142.61 13.81 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.58 167.06 28.67 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.39 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.99 150.1 41.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.131 -0.534 . . . . 0.0 109.631 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.49 136.97 53.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.816 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD13 ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -122.86 135.99 54.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' HD13 ' A' ' 26' ' ' LEU . 49.8 tttm -129.7 135.77 48.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 111.753 -171.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -126.34 137.83 53.51 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -136.33 140.08 43.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -126.57 141.7 51.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.455 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -131.93 146.63 52.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.27 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.3 146.07 24.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.144 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.62 -45.22 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -104.29 -13.29 16.21 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -147.23 76.73 11.07 Favored Pre-proline 0 C--O 1.234 0.263 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.5 134.4 28.43 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.709 0.939 . . . . 0.0 113.197 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -126.35 134.93 50.94 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 170.272 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' HD13 ' A' ' 37' ' ' LEU . . . -92.86 116.72 5.19 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 119.751 -1.214 . . . . 0.0 110.207 -174.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.69 130.74 73.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 80' ' ' TYR . 47.3 pt -129.66 142.76 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.78 129.98 7.26 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -127.99 137.03 52.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.49 127.97 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.9 m -120.13 133.09 55.6 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.5 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -122.08 122.79 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 21' ' ' MET . 58.7 m -125.4 139.44 53.66 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.43 0.456 . . . . 0.0 110.315 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -156.9 156.16 32.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -139.18 134.16 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 110.108 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -110.43 144.1 39.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -122.35 149.1 44.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -79.53 148.08 31.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 143.89 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 p -173.67 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.262 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -58.6 -33.02 69.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.493 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.08 52.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 119.863 -0.409 . . . . 0.0 113.193 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.62 114.61 26.98 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 117.974 0.887 . . . . 0.0 109.848 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -114.99 119.91 38.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.796 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -138.88 157.47 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.214 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -120.69 128.53 53.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.897 0.379 . . . . 0.0 110.776 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -120.76 122.93 41.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.93 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -149.43 158.35 44.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.011 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -149.45 155.59 40.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.214 0.53 . . . . 0.0 111.703 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.41 143.7 51.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.93 135.46 8.49 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.0 mt -116.26 125.83 73.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -140.13 160.02 40.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.026 0.441 . . . . 0.0 111.578 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.46 154.63 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.359 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.56 140.39 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.099 -1.048 . . . . 0.0 112.902 -177.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 163.09 35.04 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 CA-C-N 119.697 1.749 . . . . 0.0 111.595 166.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.87 152.78 41.59 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.166 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.505 ' HD2' HD11 ' A' ' 73' ' ' ILE . 64.2 t80 -122.02 130.15 53.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.613 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -111.62 137.07 49.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.505 HD11 ' HD2' ' A' ' 71' ' ' TYR . 4.9 mp -122.62 139.32 49.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.783 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -60.04 -44.29 94.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.867 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' HG22 ' A' ' 73' ' ' ILE . 24.9 p-10 -93.39 -31.0 14.8 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -104.94 150.51 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 114' ' ' GLN . . . -55.91 -177.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.58 ' O ' HD12 ' A' ' 113' ' ' LEU . 88.3 p -106.98 151.01 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.04 151.63 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 40' ' ' ILE . 49.2 p90 -148.0 157.42 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.885 176.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -134.04 145.66 17.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.514 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.2 m -136.14 151.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 111.416 -172.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.85 153.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.54 39.18 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.028 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -129.99 139.88 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.37 137.54 10.71 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.04 138.55 52.62 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.66 153.15 19.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -136.56 141.18 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.35 . . . . 0.0 110.592 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -108.87 138.48 45.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.849 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -104.29 125.25 50.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.943 0.401 . . . . 0.0 110.901 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.0 t -145.08 173.0 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.0 m -98.89 125.92 44.42 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 178.98 149.33 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.753 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -80.45 147.07 62.94 Favored Pre-proline 0 C--N 1.33 -0.242 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -55.92 134.45 64.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 120.619 0.879 . . . . 0.0 112.98 -165.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.8 m -118.5 154.09 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.246 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -107.16 121.56 44.75 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.268 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -114.42 149.78 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.896 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -55.87 -45.28 78.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.841 0.353 . . . . 0.0 110.537 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -103.78 110.51 22.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.021 176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -61.41 -43.84 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.414 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.1 p -131.14 169.02 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.226 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -95.93 132.72 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -134.66 155.53 50.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.122 0.487 . . . . 0.0 112.144 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.53 171.7 30.35 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.04 143.57 44.09 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.2 m -131.98 146.68 52.24 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.23 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -147.24 151.34 36.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.929 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.75 -178.33 44.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.847 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.03 157.91 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.24 161.61 28.5 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.82 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 78' ' ' SER . 14.6 tp -127.48 138.3 52.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.15 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.62 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 63.2 tt0 -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -133.11 159.28 40.56 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.396 -175.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.89 65.68 0.33 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.629 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -91.66 -22.59 0.5 Allowed 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.912 1.741 . . . . 0.0 113.279 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -55.01 -36.04 65.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.618 0.247 . . . . 0.0 111.318 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -91.01 177.0 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -80.9 7.21 11.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.6 p -134.39 141.76 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 O-C-N 122.079 -0.388 . . . . 0.0 110.074 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.04 157.01 47.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.114 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.6 mt -116.05 146.07 42.48 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -123.57 126.93 47.54 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.141 0.275 . . . . 0.0 110.296 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -119.82 126.3 50.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.301 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -143.06 146.19 33.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -117.28 121.36 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.685 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.97 136.92 54.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.969 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -125.27 145.02 50.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.4 t -137.66 146.39 43.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 111.085 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -118.37 121.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.492 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 135' ' ' VAL . 14.0 tt -127.56 95.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 17.05 95.16 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -165.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t 74.2 -8.67 1.4 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 169.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.549 ' HB ' HG23 ' A' ' 132' ' ' ILE . 46.0 t -105.63 135.29 44.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.573 0.624 . . . . 0.0 109.37 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.0 127.46 51.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.49 128.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.17 127.2 6.86 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 59.4 p -125.74 144.07 50.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.155 0.503 . . . . 0.0 111.15 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -118.11 121.96 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.45 136.96 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 111.197 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.18 143.65 34.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.52 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.81 -177.98 30.46 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.232 -0.985 . . . . 0.0 112.207 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.611 ' C ' HG23 ' A' ' 6' ' ' THR . 11.2 p -136.8 149.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 160.73 26.73 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.627 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -128.33 143.09 50.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.387 -0.406 . . . . 0.0 109.967 -177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -108.27 135.74 49.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.411 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.5 m -121.52 139.8 53.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -125.24 149.14 48.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.13 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HD3' ' A' ' 147' ' ' ARG . 26.7 m -127.18 133.14 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.104 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.07 134.02 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 t -141.03 156.32 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.054 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 151.03 21.88 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.97 31.47 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.286 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -117.84 143.31 46.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.19 144.28 38.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -121.8 140.09 52.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.293 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -125.39 147.17 49.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -130.0 139.09 51.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.213 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.35 107.8 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.448 0.642 . . . . 0.0 110.078 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.36 121.91 18.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.936 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.75 -14.69 64.42 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.607 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -116.51 158.25 23.91 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.773 0.786 . . . . 0.0 109.961 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.0 mtt -102.06 97.94 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -175.92 152.51 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.971 0.415 . . . . 0.0 111.705 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.4 145.67 49.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.721 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.8 mtp -135.08 158.47 44.28 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.662 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' HG23 ' A' ' 46' ' ' THR . . . -137.44 138.79 9.96 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.9 168.05 28.78 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.202 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.56 150.55 41.49 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.632 ' C ' HD22 ' A' ' 26' ' ' LEU . 4.6 p-10 -132.62 140.17 48.09 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.116 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 136.5 54.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -129.57 144.8 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.199 0.523 . . . . 0.0 111.836 -174.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -124.48 138.99 54.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.962 174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -138.02 140.1 39.96 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 123.212 0.32 . . . . 0.0 111.523 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.62 142.0 51.12 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.0 148.07 51.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.299 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -102.06 141.03 35.54 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.303 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.13 -45.22 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -104.08 -13.39 16.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.22 72.9 12.05 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.06 134.48 19.59 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 120.908 1.072 . . . . 0.0 113.414 -170.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.7 tt -126.12 127.35 45.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 169.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.09 116.93 5.27 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.416 -172.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.36 130.68 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -125.23 130.99 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.581 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.8 129.84 8.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -128.1 137.1 52.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -116.51 128.79 55.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -119.64 133.54 55.6 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.999 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.39 122.82 41.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 108.956 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 22' ' ' GLY . 5.3 m -127.56 144.61 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.38 161.55 34.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.415 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -132.61 133.45 43.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.297 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -119.91 140.91 50.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -140.0 139.73 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.8 m -124.87 130.23 51.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.894 0.378 . . . . 0.0 110.384 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.35 48.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -60.66 -36.47 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.04 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -60.55 -36.29 78.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.662 0.267 . . . . 0.0 111.203 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.07 7.58 58.41 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.296 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -85.23 118.61 24.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 117.982 0.891 . . . . 0.0 110.45 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -137.41 152.09 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -134.13 169.24 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.413 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -105.93 127.17 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 0.0 111.026 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -123.28 132.64 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.88 176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -129.19 143.99 51.05 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.723 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -134.29 132.93 40.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.074 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -132.88 138.14 46.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.31 137.15 8.87 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.973 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.19 126.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.15 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.063 0.459 . . . . 0.0 111.74 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.61 152.58 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.433 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.51 139.4 6.98 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.803 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -75.46 163.19 34.77 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 CA-C-N 119.826 1.813 . . . . 0.0 111.949 168.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.11 151.56 46.78 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.438 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -122.18 115.29 22.15 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -114.33 119.55 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.518 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 74' ' ' ASN . 14.5 tt -177.25 -60.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 123.521 0.513 . . . . 0.0 111.683 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 73' ' ' ILE . 87.1 m-20 -103.33 154.57 19.23 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 118.688 0.676 . . . . 0.0 111.483 -174.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 58.94 36.71 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.685 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 57.67 -85.45 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.95 165.36 0.11 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.129 0.49 . . . . 0.0 111.758 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.5 m -113.29 151.22 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.653 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -124.92 151.8 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -148.03 159.14 44.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.085 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.87 145.57 17.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.79 151.79 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 111.406 -172.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.03 153.76 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.94 -177.39 38.66 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.888 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.35 139.44 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.66 14.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -124.92 143.97 50.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.34 141.37 12.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -136.94 141.09 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -131.39 156.11 46.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 0.0 110.776 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -102.08 124.69 48.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 t -144.4 172.14 13.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -98.85 132.25 44.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -158.42 149.28 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.247 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -80.56 147.49 63.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.22 134.67 65.1 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 120.726 0.951 . . . . 0.0 112.315 -163.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -118.45 157.58 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.925 -175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -96.54 136.9 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.03 138.51 47.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.472 0.653 . . . . 0.0 112.195 -168.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -158.97 -43.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.801 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -139.07 60.8 1.58 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.605 0.717 . . . . 0.0 109.594 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -56.14 -40.64 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.262 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.5 m -120.52 151.63 39.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.734 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -98.26 144.81 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -135.99 157.6 46.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 111.425 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.6 175.13 32.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.05 143.92 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.9 p -134.05 149.06 51.13 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -154.45 162.38 41.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.09 -175.57 47.55 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.06 157.33 46.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.25 159.23 27.92 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.686 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.04 136.96 48.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -110.22 133.98 52.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.513 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -122.98 134.98 54.31 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -129.24 88.0 52.21 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.049 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.31 -165.81 0.35 Allowed 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.339 1.359 . . . . 0.0 111.806 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.4 mtt -55.27 -35.07 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.237 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.21 152.86 7.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.796 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.96 12.08 3.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p -128.15 144.94 36.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.133 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 152.24 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.169 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 144' ' ' VAL . 75.3 mt -111.67 141.69 44.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.206 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -120.32 126.91 51.7 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -123.38 129.6 51.52 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.0 m -143.05 153.68 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.366 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -114.13 124.87 53.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.359 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -121.6 135.19 55.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.022 0.439 . . . . 0.0 111.401 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -128.37 144.71 51.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.489 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -138.07 140.3 39.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -119.27 129.61 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.683 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -127.1 112.14 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -45.09 95.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.135 0.897 . . . . 0.0 112.578 -158.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m 148.13 -53.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 125.671 1.857 . . . . 0.0 109.288 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.46 139.12 33.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.605 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -104.02 118.89 37.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.804 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.3 t -110.64 133.95 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 O-C-N 122.271 -0.268 . . . . 0.0 110.411 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 132.77 9.3 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.009 -1.237 . . . . 0.0 110.009 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.485 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.3 m -132.87 136.75 46.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.894 0.347 . . . . 0.0 111.103 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -106.96 126.29 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.482 HD11 ' CG ' ' A' ' 25' ' ' ASN . 18.1 tt -128.06 135.06 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.058 0.456 . . . . 0.0 111.083 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.04 147.06 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.815 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.72 -177.96 32.29 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.13 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.535 HG12 HD23 ' A' ' 123' ' ' LEU . 34.8 m -133.85 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 162.11 26.75 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.818 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -129.9 143.23 50.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.525 -0.337 . . . . 0.0 110.242 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.406 ' HD3' HG23 ' A' ' 4' ' ' THR . 27.5 mmt85 -94.7 139.32 31.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.16 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.598 178.845 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.539 HG21 ' HD2' ' A' ' 147' ' ' ARG . 35.9 m -122.7 141.04 52.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.362 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.26 145.38 49.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.403 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -130.06 133.27 46.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -123.24 132.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.767 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.0 p -136.16 161.68 35.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.026 0.441 . . . . 0.0 110.593 -177.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 150.85 23.06 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.8 170.15 34.15 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.231 -176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -120.54 143.95 48.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.2 150.61 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.09 140.12 50.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.538 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.0 p -124.28 145.71 49.22 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.138 -174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -128.07 139.06 52.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.098 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -108.03 107.91 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 110.466 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -73.24 121.88 21.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.915 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.94 -14.62 64.78 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.84 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -116.59 154.69 30.03 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 117.706 0.753 . . . . 0.0 109.755 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.4 mtm -101.99 97.86 8.14 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.858 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 48.7 p-10 -175.23 151.38 1.27 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.286 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -135.12 137.56 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.457 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -128.85 149.66 50.66 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.297 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.52 131.46 6.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -147.04 168.36 28.24 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.264 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -120.98 152.51 38.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -136.07 141.86 44.28 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.193 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.7 mt -128.66 135.91 49.93 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CD ' HD11 ' A' ' 40' ' ' ILE . 50.4 pttt -146.07 158.02 43.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.371 0.605 . . . . 0.0 112.444 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -131.94 139.36 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.619 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -125.08 140.08 53.21 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.322 0.389 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -123.33 140.79 52.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -131.98 148.13 52.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.139 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -89.3 142.04 28.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.33 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -67.47 -45.05 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -104.13 -13.32 16.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 p -147.21 73.02 12.05 Favored Pre-proline 0 C--O 1.235 0.303 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -68.51 134.5 30.92 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 120.873 1.048 . . . . 0.0 113.228 -169.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.25 135.08 51.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.726 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.99 116.83 5.34 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.42 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -127.87 130.65 70.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 ' CD ' ' A' ' 27' ' ' LYS . 10.0 tt -135.71 140.38 44.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.96 131.35 8.42 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m -127.87 137.2 52.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.538 0.209 . . . . 0.0 111.114 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HD1' ' HH ' ' A' ' 63' ' ' TYR . 96.2 m-85 -119.18 127.23 53.11 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 176.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 m -124.06 140.88 52.55 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.89 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -131.58 130.15 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.654 HG22 ' HA3' ' A' ' 23' ' ' GLY . 66.0 p -122.23 148.95 44.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -128.86 166.48 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.754 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -86.96 136.98 32.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.263 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.4 t -99.05 146.7 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.89 134.83 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.647 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.6 m -131.94 148.02 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.86 126.5 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.007 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 p -155.81 -174.8 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.7 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 p -81.21 17.91 1.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 -5.57 50.13 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-O 119.71 -0.494 . . . . 0.0 113.439 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.86 112.05 23.73 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.055 0.927 . . . . 0.0 110.357 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -133.17 134.29 43.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -116.11 130.21 56.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.359 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -85.47 125.65 33.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -127.98 126.17 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -124.46 143.94 50.36 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.03 144.45 32.28 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.32 0.388 . . . . 0.0 111.02 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HH ' ' HD1' ' A' ' 43' ' ' PHE . 64.3 t80 -136.12 140.18 43.5 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.5 137.16 8.54 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.047 -174.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.05 130.14 71.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.05 159.96 41.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.213 0.53 . . . . 0.0 111.774 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.97 149.93 31.1 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.11 142.25 9.51 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.087 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.45 163.19 34.82 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.802 1.668 . . . . 0.0 111.582 166.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.726 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -133.69 155.13 50.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -118.68 125.1 48.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.992 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -114.22 138.16 50.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.791 0.682 . . . . 0.0 110.267 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.4 mt 80.13 -29.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.594 0.758 . . . . 0.0 112.652 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -53.81 -37.06 63.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.255 0.48 . . . . 0.0 111.205 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -145.5 176.96 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.306 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -58.41 141.13 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.148 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 56.67 -173.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.292 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -111.21 146.99 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -124.95 151.67 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.68 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 22.8 m-85 -135.48 149.3 49.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.86 145.39 17.37 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.439 HG12 ' HA3' ' A' ' 68' ' ' GLY . 32.9 m -137.85 152.01 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 112.146 -169.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG22 ' HD1' ' A' ' 109' ' ' TYR . 60.5 t -131.52 153.65 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.03 -178.56 40.52 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.796 -1.192 . . . . 0.0 112.122 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -134.55 139.55 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.11 145.53 16.69 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -128.05 147.01 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.26 160.09 27.18 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.113 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -134.36 137.92 44.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.922 -0.639 . . . . 0.0 110.122 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -121.43 156.05 33.55 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.537 0.523 . . . . 0.0 110.585 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -90.11 120.64 31.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.613 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.7 m -136.23 154.93 50.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.5 m -98.92 125.87 44.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -179.76 149.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 -172.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -80.42 142.77 54.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -56.03 134.47 64.31 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 120.8 1.0 . . . . 0.0 113.014 -165.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 98' ' ' TYR . 50.0 m -118.48 156.37 29.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.354 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' N ' HG22 ' A' ' 97' ' ' THR . 58.3 t80 -97.03 121.64 39.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.697 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -114.33 148.33 37.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.932 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -58.2 -41.14 83.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.246 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.64 125.85 38.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.907 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.1 p -68.17 -30.64 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.112 -176.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -115.86 160.78 19.71 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.973 0.416 . . . . 0.0 111.108 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -95.98 135.23 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.528 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.13 154.4 36.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 111.896 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 168.48 25.76 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.273 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 83' ' ' VAL . 76.7 t80 -109.67 138.65 45.73 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.7 p -130.74 145.99 52.09 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.653 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.581 ' HD1' HG22 ' A' ' 83' ' ' VAL . 93.8 t80 -146.46 151.2 37.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.736 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.34 -178.68 43.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.984 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.21 158.53 43.98 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.42 165.26 29.94 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.4 mt -128.9 149.96 50.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -116.67 137.26 52.32 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.183 0.302 . . . . 0.0 110.542 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -122.94 136.79 54.99 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -121.69 90.82 48.4 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.919 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.24 -167.91 0.55 Allowed 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.454 1.436 . . . . 0.0 112.002 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.2 mtp -56.88 -37.79 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.003 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.67 153.66 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.552 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -80.79 12.0 3.51 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -115.21 145.69 20.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.78 149.83 36.33 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.61 138.29 50.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.885 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.75 137.15 52.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -136.31 141.66 43.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.5 m -143.06 154.65 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.387 . . . . 0.0 111.024 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.82 117.9 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -114.24 134.34 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.25 133.43 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.596 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m -126.23 137.83 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.27 130.07 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.202 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 85.4 mt -127.25 110.03 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 168.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -45.15 95.14 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.227 0.954 . . . . 0.0 112.657 -158.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.0 m 150.52 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 125.389 1.681 . . . . 0.0 109.016 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 p -109.45 137.26 42.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.309 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.16 119.35 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.945 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.2 132.41 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.36 -177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 132.95 9.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.47 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -133.45 139.19 46.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -106.06 131.69 53.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.601 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 10' ' ' ALA . 70.2 mt -121.04 131.31 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.769 0.318 . . . . 0.0 110.54 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.6 139.19 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.962 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.63 -177.95 35.14 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.522 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.47 155.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.767 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.06 157.02 25.84 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.695 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -131.67 142.43 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.539 ' HD2' HG21 ' A' ' 2' ' ' THR . 24.8 ttp-105 -119.9 137.76 53.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.596 179.729 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 m -122.51 140.33 52.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.15 147.93 52.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.352 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -130.91 133.22 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.88 128.0 68.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -136.11 146.47 47.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.329 0.393 . . . . 0.0 110.77 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.68 150.79 22.54 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 174.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.8 170.03 33.59 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.906 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -121.46 144.1 48.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.066 -0.567 . . . . 0.0 109.762 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 147.43 41.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.061 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.42 140.05 53.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -121.2 138.48 54.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.94 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -115.89 139.05 50.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.286 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.34 107.95 19.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.362 0.601 . . . . 0.0 110.156 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -82.87 121.92 27.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.007 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.24 -14.6 57.2 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.738 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.637 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.42 144.85 43.77 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.598 0.699 . . . . 0.0 109.622 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.2 mtt -90.93 97.82 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.066 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -176.85 147.3 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -134.91 146.7 49.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.931 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 93.5 mmm -131.79 147.5 52.49 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.08 -176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.97 131.59 6.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.9 168.26 29.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.465 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -130.09 156.4 44.59 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' HD11 ' A' ' 141' ' ' ILE . 16.7 p30 -144.02 150.19 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.374 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -126.65 138.92 53.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.552 177.097 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.93 141.07 51.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.98 139.09 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.559 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HG2' HG22 ' A' ' 40' ' ' ILE . 76.9 mtp180 -134.78 140.28 45.77 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.911 0.386 . . . . 0.0 111.795 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -124.08 136.51 54.29 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.56 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -134.06 148.14 51.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.031 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -100.39 144.48 29.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.289 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -67.6 -45.12 76.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -100.76 -13.23 18.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -147.1 74.89 11.84 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.48 134.59 33.66 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 120.867 1.045 . . . . 0.0 112.9 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -126.22 132.32 51.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 172.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.759 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.79 116.84 5.21 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.84 130.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.764 HD11 HG12 ' A' ' 82' ' ' VAL . 2.6 pp -125.74 131.99 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.975 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.83 129.71 7.37 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 171.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -128.26 137.1 51.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 111.26 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.9 125.41 54.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.5 m -118.57 135.43 54.43 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.763 -175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -123.49 123.53 40.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 p -123.22 142.65 50.7 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.466 0.479 . . . . 0.0 110.241 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.6 147.52 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.18 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -92.57 136.4 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.207 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.0 p -112.92 142.79 45.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.918 0.389 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -139.99 141.6 36.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.159 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 m -70.07 135.22 49.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.299 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.32 135.9 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -169.49 -66.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.364 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.7 p -63.09 -29.49 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.35 -2.63 54.12 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.384 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -77.26 138.46 39.41 Favored 'General case' 0 CA--C 1.527 0.068 0 CA-C-N 118.062 0.931 . . . . 0.0 110.425 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -116.09 127.36 54.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.709 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -114.14 131.09 56.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.231 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -108.4 105.34 14.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.639 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -128.04 128.67 45.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -135.13 143.98 46.85 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.856 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.02 136.69 48.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -124.11 139.95 53.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.38 130.8 6.14 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.64 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.27 127.97 73.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -140.05 159.98 40.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.154 0.502 . . . . 0.0 111.853 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.01 150.36 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.187 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.3 139.72 7.23 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.681 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.35 163.08 35.25 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 CA-C-N 119.847 1.823 . . . . 0.0 111.223 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.759 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -140.57 149.83 42.89 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.599 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -122.16 130.06 52.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.069 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -114.01 107.94 16.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.249 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.7 mt -70.18 -49.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -136.02 -172.8 3.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.439 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -48.74 -31.81 7.53 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.725 ' CE3' ' HB2' ' A' ' 77' ' ' ALA . 45.2 p-90 -129.94 178.04 6.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.894 0.378 . . . . 0.0 110.537 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . 61.64 92.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.002 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.4 p -123.97 151.18 43.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.721 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -128.26 151.88 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -144.3 159.02 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.97 145.7 17.67 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.764 HG12 HD11 ' A' ' 40' ' ' ILE . 33.2 m -134.75 148.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 117.253 0.526 . . . . 0.0 111.735 -170.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 109' ' ' TYR . 33.5 m -134.7 153.84 35.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 170.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.07 -179.8 40.81 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.006 -1.092 . . . . 0.0 112.197 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 87' ' ' TYR . 44.5 t -127.46 138.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.05 133.64 10.03 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' CZ ' HG11 ' A' ' 85' ' ' VAL . 93.3 m-85 -122.57 138.11 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.19 146.95 18.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -138.85 135.93 35.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.412 -0.394 . . . . 0.0 109.949 178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -133.93 156.03 48.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.4 0.437 . . . . 0.0 109.999 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -106.2 119.75 40.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.18 0.514 . . . . 0.0 111.482 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.0 p -145.06 170.83 15.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.224 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.6 p -98.95 125.48 44.4 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.043 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 173.62 149.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.239 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -81.01 114.74 51.08 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.53 134.55 18.81 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.085 1.19 . . . . 0.0 113.492 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -118.34 120.82 38.75 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -161.27 162.01 30.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.957 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -100.84 155.13 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 81.1 t60 66.15 -82.72 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.611 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -139.53 156.23 47.03 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 118.138 0.426 . . . . 0.0 111.359 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.7 m -60.94 -40.0 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.325 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.94 155.27 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.672 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -102.03 143.4 31.93 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -136.09 154.96 50.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 111.666 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.47 170.96 29.67 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.06 144.56 42.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.365 0.082 . . . . 0.0 110.799 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -128.43 142.63 51.04 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.249 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.574 ' CD2' HG12 ' A' ' 83' ' ' VAL . 80.6 m-85 -136.53 145.59 45.23 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.471 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.62 179.87 42.39 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.329 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.58 157.11 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.52 159.23 27.96 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.887 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.3 mp -123.78 146.41 48.35 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -109.93 131.7 54.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.526 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -122.95 139.08 54.44 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -123.35 87.54 51.7 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.936 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.85 -168.06 0.47 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.372 1.381 . . . . 0.0 111.917 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.6 mtm -56.25 -35.62 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.184 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.49 154.2 6.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.798 0.333 . . . . 0.0 110.732 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -80.96 12.09 3.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.72 157.07 33.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 O-C-N 122.166 -0.333 . . . . 0.0 110.166 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.01 152.24 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.24 145.51 46.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -122.09 126.98 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -116.95 126.14 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.839 0.712 . . . . 0.0 109.454 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.8 t -143.08 148.07 36.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.0 111.395 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -115.98 122.3 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.625 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -117.85 138.06 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.177 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -125.56 138.69 53.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.2 m -130.42 145.91 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -116.32 120.56 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.489 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.4 94.74 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 15.5 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.985 1.314 . . . . 0.0 114.414 -165.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.7 t 74.04 -8.81 1.36 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -104.68 134.32 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 118.538 0.608 . . . . 0.0 109.461 177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -103.34 123.3 46.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.598 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.97 133.07 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 132.02 8.94 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.478 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 31.0 m -126.43 136.18 52.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.066 0.46 . . . . 0.0 111.287 -176.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -107.34 121.89 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.527 HD11 ' ND2' ' A' ' 25' ' ' ASN . 18.9 tt -127.27 137.19 58.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.084 0.468 . . . . 0.0 111.405 -173.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 139.09 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.831 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.48 169.75 26.97 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.251 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.9 t -137.44 144.99 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.62 168.21 27.42 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.685 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -134.09 143.15 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.553 0.216 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -103.51 141.54 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.752 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.557 179.255 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p -123.89 141.2 52.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.37 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -128.49 151.51 49.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.222 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.492 HG21 HH21 ' A' ' 29' ' ' ARG . 34.2 m -130.34 133.19 46.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.475 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.71 128.43 71.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.725 HG22 ' HA3' ' A' ' 145' ' ' GLY . 30.1 p -131.39 158.53 40.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 0.0 110.796 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 150.8 23.06 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 171.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.38 170.06 33.37 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.112 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.86 143.91 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.15 144.43 38.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -123.09 140.04 53.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -122.35 141.41 51.59 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.007 -174.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -107.46 136.95 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.66 107.93 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.171 0.51 . . . . 0.0 110.677 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -79.27 121.98 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.496 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.65 -14.51 64.75 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.695 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -116.44 146.05 42.82 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.774 0.787 . . . . 0.0 109.48 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.4 mtt -86.56 160.48 18.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 66.93 135.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.812 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -85.16 162.17 19.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.2 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mtp -115.96 150.1 37.71 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.446 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.72 138.15 9.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.735 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -151.81 168.16 31.12 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.273 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.97 150.25 41.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -133.66 137.65 45.48 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.144 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' THR . 14.2 tp -124.18 135.88 53.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 40' ' ' ILE . 36.3 mtmm -130.58 142.6 50.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.697 -174.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.064 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.492 HH21 HG21 ' A' ' 4' ' ' THR . 71.0 mtm180 -130.36 140.11 50.63 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.767 0.318 . . . . 0.0 111.217 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -127.21 142.01 51.59 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.99 146.13 52.28 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.11 146.53 24.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.149 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -71.38 -45.16 63.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -104.19 -13.31 16.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -147.26 75.57 11.46 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.06 134.4 19.47 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.716 0.944 . . . . 0.0 113.294 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -126.15 135.28 51.47 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.84 116.66 5.17 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -174.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -124.01 130.82 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.594 HD11 ' HD2' ' A' ' 27' ' ' LYS . 12.8 tt -126.61 132.12 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.803 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.93 129.94 8.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 m -125.46 137.14 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.966 0.412 . . . . 0.0 111.219 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -113.58 122.84 48.43 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 t -119.74 135.8 54.7 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.635 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -129.97 124.63 33.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.391 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.735 HG22 ' HA3' ' A' ' 23' ' ' GLY . 64.3 p -129.27 154.73 46.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -134.3 155.13 50.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.318 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -134.67 132.93 39.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.156 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -115.22 136.31 53.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -140.14 156.99 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -124.93 135.55 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.365 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.99 147.31 51.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -60.29 -36.65 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -55.76 -35.4 66.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.34 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.11 21.1 47.07 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.75 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -82.0 120.63 25.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.494 0.647 . . . . 0.0 110.182 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -111.51 134.47 53.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.798 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -146.54 -178.03 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.255 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -130.83 121.93 26.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.605 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -125.75 136.19 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.794 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -134.62 150.81 50.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.696 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 131.03 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.895 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.79 150.39 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 137.25 8.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -174.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.94 125.84 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HA3' ' A' ' 84' ' ' GLY . 75.4 p -130.81 160.0 35.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.147 0.499 . . . . 0.0 111.445 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.59 146.32 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.255 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.596 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.66 138.41 6.65 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.659 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.29 163.11 35.31 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 CA-C-N 119.888 1.844 . . . . 0.0 111.465 167.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.701 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -125.66 154.19 42.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.54 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.99 130.14 53.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.042 -177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -90.72 132.49 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.442 0.464 . . . . 0.0 110.184 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 74' ' ' ASN . 73.4 mt -122.44 158.33 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.515 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.426 ' N ' HG22 ' A' ' 73' ' ' ILE . 85.7 m-20 -49.46 -35.03 18.31 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.673 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.47 144.54 48.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 173.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -51.97 -34.38 42.07 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 144.36 56.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 111.164 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -121.29 151.08 40.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.429 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.2 pt -125.54 151.92 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.419 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -146.63 159.09 43.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.895 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.96 145.68 17.65 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.91 151.14 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 111.413 -171.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.612 HG22 ' HD2' ' A' ' 109' ' ' TYR . 40.7 t -131.3 153.67 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -164.96 178.67 39.96 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.328 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.12 138.33 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -119.62 140.74 15.05 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -122.74 133.17 54.49 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.54 130.59 9.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -137.0 141.04 42.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.56 156.04 32.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.195 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -113.18 132.66 55.4 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.074 0.464 . . . . 0.0 111.47 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 p -136.98 173.0 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.678 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.6 m -98.72 125.75 44.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 176.51 149.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.442 -171.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -80.43 139.61 51.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.9 134.46 50.08 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 120.81 1.007 . . . . 0.0 113.239 -165.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.3 m -118.46 151.38 37.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.366 172.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -97.65 121.57 39.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.115 176.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -114.35 147.41 39.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.791 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.93 -45.39 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -139.67 160.2 40.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.827 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 103' ' ' SER . 6.9 t -174.73 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 102' ' ' THR . 31.1 t -74.57 151.37 39.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.648 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.89 123.97 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -113.09 138.38 50.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.715 0.293 . . . . 0.0 111.034 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.07 160.17 25.74 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.11 143.65 43.99 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.3 t -131.11 139.42 49.84 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.612 ' HD2' HG22 ' A' ' 83' ' ' VAL . 58.9 m-85 -137.35 142.86 41.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.43 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.96 -177.87 41.14 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.21 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.54 159.05 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.34 158.46 27.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.465 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.48 136.81 53.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -109.84 129.26 55.66 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.316 0.385 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.96 141.69 51.65 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -119.52 83.0 26.21 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.103 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -61.88 -41.01 40.17 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.274 1.316 . . . . 0.0 110.966 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.1 mtt -126.22 157.8 37.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.843 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.53 -37.32 83.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.05 3.42 51.87 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.5 t -132.9 134.36 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 118.247 0.476 . . . . 0.0 110.566 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.618 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -140.77 151.69 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.143 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -121.92 143.28 49.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.45 127.12 43.55 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.402 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.77 133.04 54.92 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.2 t -143.07 143.54 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 111.338 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -115.22 123.27 48.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.443 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.29 138.13 54.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.345 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -116.77 139.97 49.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.8 t -132.8 141.0 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.388 . . . . 0.0 111.047 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -113.49 117.83 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.292 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.42 94.91 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 15.24 95.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -165.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 p 73.45 -7.53 1.53 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.94 133.54 47.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 118.552 0.615 . . . . 0.0 109.585 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -104.05 121.23 42.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.665 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.14 133.12 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.659 0.266 . . . . 0.0 110.378 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 127.45 6.97 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -123.21 134.98 54.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -114.29 121.92 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.2 tt -126.44 138.44 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.051 0.453 . . . . 0.0 111.03 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.96 140.8 34.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.744 175.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.42 175.48 30.26 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.911 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.97 149.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.725 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -151.19 177.43 29.17 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.717 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -135.04 143.24 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.375 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -106.74 140.15 40.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.858 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.99 140.98 52.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.244 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.19 146.0 48.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.147 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.0 p -130.4 133.37 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.055 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.62 132.48 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.758 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.8 p -136.32 165.45 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.704 -176.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 26' ' ' LEU . . . -152.51 150.73 22.59 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 171.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.13 170.02 34.86 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.842 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -128.73 144.23 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.213 -0.493 . . . . 0.0 109.938 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.28 147.2 41.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.2 140.06 49.41 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 m -120.6 139.56 52.79 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.25 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.19 125.26 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.92 107.85 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.344 0.593 . . . . 0.0 110.117 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -85.01 121.93 28.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.42 -14.32 60.92 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.708 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -116.23 174.08 6.25 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 117.715 0.758 . . . . 0.0 110.118 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -94.57 153.66 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.437 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 49' ' ' SER . 20.4 p30 46.65 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.282 0.989 . . . . 0.0 113.13 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -108.82 162.13 14.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.849 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mtm -117.97 159.4 23.23 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.79 141.49 11.99 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.22 168.05 32.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.923 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.19 155.11 45.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -143.97 150.19 37.93 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.789 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA2' ' A' ' 7' ' ' GLY . 74.6 mt -123.78 140.5 52.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.402 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -120.92 142.38 49.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.2 0.524 . . . . 0.0 111.474 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -121.98 139.12 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.603 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -129.98 140.24 50.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -122.73 134.73 54.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.269 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -126.93 146.18 50.4 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.798 0.333 . . . . 0.0 111.115 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.62 140.45 32.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.32 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -67.59 -44.86 77.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.27 -13.27 17.44 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -147.15 73.88 11.96 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -59.89 134.51 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.907 1.071 . . . . 0.0 112.896 -170.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.3 135.2 51.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.271 172.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.85 5.21 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.98 130.76 74.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.43 130.83 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.81 129.88 6.74 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -128.06 137.1 52.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.259 -175.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -114.32 122.63 47.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.2 m -121.81 137.69 54.67 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -123.81 129.94 51.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.343 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 71.6 p -128.05 153.6 46.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.422 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.49 147.15 52.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.776 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -124.46 132.13 53.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.427 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 28.9 t -114.55 138.68 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -134.44 144.13 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -116.3 135.65 53.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.388 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.08 155.51 46.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 m -57.42 -37.33 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -60.53 -32.53 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.601 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.14 21.01 56.34 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.814 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -82.61 169.3 16.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 117.538 0.669 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -118.41 132.1 56.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -115.06 130.27 56.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -89.73 116.55 27.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.625 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -128.07 128.49 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.103 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -137.66 143.85 41.56 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -141.81 138.25 32.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.289 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -135.98 151.32 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.96 137.31 6.84 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.49 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.02 140.19 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.509 HG22 ' HA3' ' A' ' 84' ' ' GLY . 81.1 p -133.43 161.12 35.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.098 0.475 . . . . 0.0 111.508 -176.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.07 144.98 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.084 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 159.64 31.36 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 119.614 -1.279 . . . . 0.0 114.122 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.31 163.15 35.19 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.231 1.954 . . . . 0.0 113.016 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -148.16 154.99 40.88 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.466 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -118.25 129.58 55.56 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -114.02 138.17 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.614 0.572 . . . . 0.0 110.732 -176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 73' ' ' ILE . 41.7 mm 63.24 49.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.673 0.749 . . . . 0.0 109.877 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -82.8 178.0 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.571 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.49 -37.79 63.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.746 0.307 . . . . 0.0 111.131 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -135.74 106.57 6.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 176.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 52.99 -172.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.368 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -110.73 151.1 28.15 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.9 tt -137.68 151.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.348 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -147.08 154.87 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.973 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.28 145.66 16.95 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.14 157.27 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 117.223 0.511 . . . . 0.0 111.608 -173.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 109' ' ' TYR . 41.1 t -129.98 153.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 172.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.56 179.53 38.57 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.28 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.27 143.51 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.11 153.69 20.85 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -128.05 145.49 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 156.22 26.33 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.805 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -140.06 140.87 36.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.183 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.44 156.06 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.256 0.348 . . . . 0.0 110.959 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -106.18 127.69 53.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.403 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.5 t -145.06 170.47 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.9 m -98.85 125.96 44.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -178.64 149.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.017 -173.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -80.54 147.06 62.54 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.76 134.56 64.77 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 120.75 0.967 . . . . 0.0 112.753 -167.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.6 p -118.41 157.25 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.609 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -96.87 121.64 38.96 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.051 176.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -114.21 148.08 37.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.884 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -56.96 -38.67 73.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -131.96 138.88 48.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.419 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.3 m -57.27 -39.48 75.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.0 p -104.29 159.34 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.475 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.93 128.16 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -128.65 155.73 44.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.077 0.465 . . . . 0.0 111.515 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.07 169.54 30.12 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -113.13 147.09 38.05 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -134.17 141.04 46.93 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.102 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.643 ' HD1' HG22 ' A' ' 83' ' ' VAL . 43.6 m-85 -135.45 144.48 46.47 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -169.04 175.55 43.41 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 119.88 -1.153 . . . . 0.0 112.565 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.95 157.36 43.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.07 164.84 28.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.507 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 113' ' ' LEU . 5.5 mp -122.05 144.09 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -114.34 129.59 56.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.302 0.376 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -122.99 151.56 41.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.184 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -117.5 83.53 17.14 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.389 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.02 -64.96 0.16 Allowed 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.39 1.394 . . . . 0.0 112.315 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.6 mtp -95.23 -73.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.94 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -174.94 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.815 0.341 . . . . 0.0 110.985 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -83.71 5.06 26.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p -132.78 141.01 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 118.077 0.399 . . . . 0.0 109.983 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.62 152.71 51.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.6 142.57 46.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -127.37 127.22 43.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.516 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -122.91 131.93 53.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.576 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.2 t -143.02 147.61 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.96 0.41 . . . . 0.0 111.423 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.531 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -114.54 136.5 52.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -175.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -122.52 130.0 52.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -131.49 143.74 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -117.52 119.97 36.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.253 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.0 mt -127.4 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 14.88 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -164.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 p 74.4 -9.14 1.34 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.15 134.02 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 CA-C-N 118.569 0.622 . . . . 0.0 109.583 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.0 129.83 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 122.28 5.14 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -123.78 134.62 53.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.017 0.437 . . . . 0.0 111.553 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -110.59 127.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 13.8 tt -130.14 141.54 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.454 . . . . 0.0 111.527 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.76 145.06 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.9 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.95 30.63 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.951 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -128.49 154.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.758 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.01 151.33 22.43 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.9 143.04 50.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -117.28 144.91 44.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m -122.47 141.02 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -126.87 142.0 51.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.216 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m -130.52 133.16 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.06 128.83 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.65 HG23 ' C ' ' A' ' 144' ' ' VAL . 8.7 m -133.27 145.99 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.379 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.67 150.85 20.0 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.83 170.04 34.7 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.145 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -131.13 144.1 51.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.952 -0.624 . . . . 0.0 109.966 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.2 149.35 44.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -116.68 140.08 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -122.47 138.45 54.55 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.95 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -115.51 127.01 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -111.09 107.89 17.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.313 0.578 . . . . 0.0 110.242 -174.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -70.36 122.0 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.414 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.93 -14.37 60.16 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 124.209 0.943 . . . . 0.0 112.703 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 30.0 mm100 -116.42 162.05 18.15 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 117.811 0.805 . . . . 0.0 110.145 173.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.8 mtt -102.06 162.75 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 111.183 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.59 133.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.999 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -79.97 154.39 28.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.022 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -119.3 153.92 34.31 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.24 136.11 8.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 164.21 28.2 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.893 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.535 ' ND2' HD11 ' A' ' 141' ' ' ILE . 40.0 p-10 -141.82 150.09 41.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.93 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.88 142.12 51.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.731 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -127.04 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.176 0.512 . . . . 0.0 111.817 -169.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.08 139.11 54.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -132.31 140.11 48.45 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.239 0.337 . . . . 0.0 111.048 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -125.13 141.98 51.78 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.474 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -122.6 145.12 48.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.948 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -100.72 141.89 32.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.213 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.96 -45.29 51.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -104.01 -13.33 16.35 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.6 m -147.16 80.92 9.13 Favored Pre-proline 0 C--O 1.234 0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -59.94 134.21 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.723 0.948 . . . . 0.0 112.531 -168.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -126.4 135.24 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.654 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -95.82 116.73 5.48 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.2 130.8 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -126.72 130.94 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.18 129.9 6.67 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 p -128.27 137.21 51.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 111.248 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -107.01 123.58 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -117.35 135.2 54.03 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.043 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.07 124.5 44.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -122.46 141.64 51.41 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.322 0.389 . . . . 0.0 110.45 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.91 146.34 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.381 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -101.12 138.05 38.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.206 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.1 t -87.89 137.46 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.014 0.435 . . . . 0.0 110.549 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -69.98 143.67 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.081 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 p -127.23 148.1 50.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.099 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.71 47.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.666 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 p 179.82 -70.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.379 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 m -61.24 -36.63 80.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.315 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 20.98 52.18 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.697 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -123.03 135.71 54.55 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.508 0.654 . . . . 0.0 110.243 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.6 124.85 26.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.678 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -139.07 119.95 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.347 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -128.39 123.13 33.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -128.01 131.56 49.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -122.46 143.89 49.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -124.67 137.34 54.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 111.268 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -127.25 133.95 50.14 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.42 137.16 9.31 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.112 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -115.95 128.22 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -134.99 161.11 36.21 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.956 0.408 . . . . 0.0 111.299 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.95 147.47 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.417 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.93 134.43 4.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.644 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.36 163.19 35.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 CA-C-N 120.182 1.991 . . . . 0.0 111.99 168.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.5 155.0 49.37 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.77 130.07 53.14 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -176.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -107.5 131.57 54.17 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.559 0.537 . . . . 0.0 110.3 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 74' ' ' ASN . 73.8 mt -124.0 159.69 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.44 ' N ' HG22 ' A' ' 73' ' ' ILE . 26.5 m120 -47.08 -32.04 3.82 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -71.27 137.82 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -51.14 -32.14 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.13 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.303 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -124.05 151.01 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.653 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.0 mt -125.2 151.8 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.12 159.04 44.34 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.177 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.83 145.7 17.64 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -137.56 146.0 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.776 -170.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.44 154.12 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.08 -172.93 37.77 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.848 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -133.76 142.88 40.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.01 140.41 12.35 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -119.39 137.15 53.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.89 136.03 12.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -128.12 141.17 51.57 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 124.081 0.518 . . . . 0.0 109.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -131.3 155.95 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.627 0.251 . . . . 0.0 110.353 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -107.12 119.89 40.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.776 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 93' ' ' THR . 36.3 m -145.08 158.97 43.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.984 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 92' ' ' THR . 45.7 m -98.91 125.75 44.41 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 174.81 149.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.392 -171.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -80.46 114.91 51.28 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.02 134.85 20.19 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.041 1.161 . . . . 0.0 114.22 -162.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 p -118.2 155.26 30.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.374 168.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -138.07 128.01 25.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.12 0.486 . . . . 0.0 111.985 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -114.06 121.93 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.244 172.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.2 t60 60.44 -84.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.818 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -130.23 122.95 29.05 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.058 -0.401 . . . . 0.0 110.387 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.3 m -61.14 -42.22 98.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.157 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.9 p -75.5 158.69 32.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.804 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.94 123.32 39.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -121.88 144.78 48.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.979 0.418 . . . . 0.0 111.342 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.22 160.77 25.94 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -113.0 137.84 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.5 m -130.35 144.64 51.51 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.891 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -151.19 159.99 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.45 46.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.37 159.29 42.45 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.88 163.96 28.85 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.841 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -127.55 147.95 50.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.349 -0.426 . . . . 0.0 109.978 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.93 130.53 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.252 0.345 . . . . 0.0 110.148 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.02 156.61 34.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.781 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.31 74.66 0.35 Allowed Pre-proline 0 CA--C 1.534 0.359 0 O-C-N 123.705 0.628 . . . . 0.0 110.719 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -86.19 -52.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 121.704 1.602 . . . . 0.0 112.177 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -57.42 -38.76 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.54 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -59.75 154.18 18.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -80.78 6.02 14.18 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 146' ' ' TYR . 35.6 m -132.51 140.82 46.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.99 143.27 45.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.365 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.6 mm? -112.25 137.13 50.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -121.24 126.89 50.71 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.039 -0.265 . . . . 0.0 110.287 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -122.93 132.66 54.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.4 t -143.07 148.81 37.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 111.371 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -110.82 118.69 36.82 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.37 134.8 55.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 111.385 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.39 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.447 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -131.32 137.53 48.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.663 0.268 . . . . 0.0 110.323 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -119.36 128.73 54.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.776 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.27 106.14 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -43.8 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.261 0.976 . . . . 0.0 113.352 -158.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 p 149.7 -51.87 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 112.905 -1.952 . . . . 0.0 109.179 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.9 t -109.36 135.13 49.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -171.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -104.19 119.93 40.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.92 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.7 t -114.63 133.25 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.499 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.99 130.89 8.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.497 HG22 ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.03 135.87 50.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.437 . . . . 0.0 111.419 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -108.44 123.2 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.535 HD11 ' ND2' ' A' ' 25' ' ' ASN . 16.6 tt -128.56 137.64 56.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.141 -175.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.96 172.42 30.61 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.033 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.65 ' C ' HG23 ' A' ' 6' ' ' THR . 44.6 t -134.46 144.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 161.44 26.75 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.905 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 121' ' ' VAL . 82.5 m-85 -126.35 143.12 51.28 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -112.38 140.47 47.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.001 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.567 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.764 0.316 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -127.58 142.54 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.167 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.3 m -129.68 133.16 46.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.529 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -116.72 129.03 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 m -135.92 145.99 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.443 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.57 150.85 20.66 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.48 170.08 32.86 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.082 -1.056 . . . . 0.0 112.457 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -125.43 144.04 50.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.887 -0.656 . . . . 0.0 109.6 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.19 148.45 43.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.187 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -121.51 140.18 52.54 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -122.26 143.76 49.4 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.987 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.09 139.02 54.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.226 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -106.93 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 0.0 110.301 -175.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.5 121.83 23.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.029 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.65 64.82 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.715 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -116.58 154.08 31.1 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.695 0.748 . . . . 0.0 109.543 170.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -102.11 97.88 8.13 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.667 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 37.6 p-10 -178.76 153.61 0.68 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.956 0.407 . . . . 0.0 111.04 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -131.94 146.49 52.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.1 mtp -134.84 156.35 49.05 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.101 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.58 138.31 10.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.69 168.14 29.86 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -126.45 155.59 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' HG22 ' A' ' 44' ' ' THR . 23.9 p30 -135.48 146.71 48.43 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.282 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.2 tp -122.83 136.03 54.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.189 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -123.76 140.59 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.101 0.477 . . . . 0.0 111.678 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -122.12 139.02 54.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.544 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -127.9 140.14 52.18 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.42 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -129.85 138.65 51.09 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.448 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.33 148.1 51.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.071 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.28 141.68 28.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.393 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -67.13 -44.22 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.54 -13.32 17.24 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.234 0.278 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.84 134.5 50.54 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.001 1.134 . . . . 0.0 112.915 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.18 135.2 51.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.175 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.88 116.76 5.21 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.91 130.82 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.44 130.96 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.247 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.77 8.37 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -128.18 137.09 51.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.356 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.26 127.61 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 25' ' ' ASN . 72.2 p -115.1 135.23 54.43 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.683 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.31 120.99 32.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.859 0.724 . . . . 0.0 109.056 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.727 HG22 ' HA3' ' A' ' 23' ' ' GLY . 22.7 p -126.78 150.28 49.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.474 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.746 -179.202 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 N--CA 1.462 0.15 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.38 133.57 38.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.5 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.57 139.18 53.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.23 137.02 8.48 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.025 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.34 129.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -140.05 159.56 41.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.974 0.416 . . . . 0.0 111.96 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 151.09 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.714 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.595 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.62 139.45 7.0 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 120.239 -0.981 . . . . 0.0 113.018 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.43 163.16 34.89 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 119.775 1.788 . . . . 0.0 111.958 168.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -138.98 146.69 41.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 -177.816 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.709 0.29 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 113' ' ' LEU . 14.0 tt -129.57 151.76 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -146.89 159.08 43.98 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.881 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.95 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.595 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.44 151.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 111.328 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.3 153.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.96 38.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.853 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.1 t -129.45 139.45 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.21 147.23 18.07 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -128.0 143.67 51.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.598 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.756 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.4 143.04 30.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.178 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -136.03 156.94 47.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.048 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -155.12 173.27 33.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.19 141.98 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 m -131.4 147.07 52.53 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.864 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -151.75 161.91 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.52 -176.65 48.14 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.419 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.58 156.11 46.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.586 0.231 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.68 27.12 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.524 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 79' ' ' ILE . 74.9 mt -123.06 151.22 42.18 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.88 131.68 54.84 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.332 -177.212 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.32 152.87 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.45 143.97 44.07 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.475 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -125.28 126.96 45.94 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -129.31 130.94 46.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.6 p -143.06 157.08 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 111.532 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.47 130.03 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.458 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.15 135.84 54.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.204 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -134.7 139.77 45.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.9 p -142.3 148.21 37.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.025 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -115.7 125.95 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.803 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 15.66 95.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -165.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 t 75.19 -10.36 1.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.32 134.17 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 118.589 0.631 . . . . 0.0 109.443 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -104.1 128.11 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.628 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.96 134.86 62.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 128.25 7.32 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 34.6 m -131.73 136.67 47.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -108.4 130.98 55.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -119.89 128.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.99 141.54 36.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.769 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.1 -177.98 33.68 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.944 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.27 144.97 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.23 169.24 26.38 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.468 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.01 143.23 42.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -115.57 138.77 50.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.408 . . . . 0.0 110.655 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.574 179.535 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.706 0.289 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -132.23 145.92 51.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.344 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.9 m -124.93 133.13 53.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.1 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.8 130.26 74.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.793 HG22 ' HA3' ' A' ' 145' ' ' GLY . 10.5 p -131.41 161.1 33.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 110.275 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.29 150.82 22.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 170.05 32.73 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.394 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.73 144.19 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' ' 141' ' ' ILE . . . -139.13 146.05 40.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.914 0.388 . . . . 0.0 111.435 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -121.1 140.06 52.48 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -122.53 137.99 54.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.185 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -112.78 138.97 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -124.03 108.8 12.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.276 0.56 . . . . 0.0 110.733 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -72.8 122.15 21.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.314 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.28 -14.33 61.11 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.602 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 58.8 tt0 -116.27 156.48 26.54 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 117.718 0.759 . . . . 0.0 109.35 173.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -85.01 165.44 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.285 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 47.61 -174.95 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.06 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -129.45 162.22 28.61 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.607 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.0 mtm -121.37 164.01 17.76 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.446 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.88 142.66 14.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.04 168.08 31.25 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.989 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -128.7 154.99 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.72 138.86 48.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.446 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.07 136.0 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.602 0.564 . . . . 0.0 109.514 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 40' ' ' ILE . 92.3 mttt -122.97 147.44 46.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.227 0.537 . . . . 0.0 111.877 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -127.49 137.72 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.437 172.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -136.22 140.17 43.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -125.05 136.3 53.55 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.95 148.18 49.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 111.143 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -98.42 145.5 26.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.3 -45.07 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.0 -13.14 16.43 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 m -147.18 73.6 11.98 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.89 134.66 22.05 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 120.966 1.111 . . . . 0.0 113.304 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 tp -126.13 135.18 51.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.708 -1.133 . . . . 0.0 107.978 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 117.24 5.32 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.79 130.68 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 27' ' ' LYS . 16.8 tt -125.66 130.95 72.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.86 129.93 7.23 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.4 m -127.66 137.11 52.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.01 0.433 . . . . 0.0 111.347 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CE1' HD13 ' A' ' 65' ' ' ILE . 94.7 m-85 -112.63 126.45 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -122.38 137.2 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.761 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -125.65 125.55 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.604 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -120.68 140.62 51.35 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.751 0.657 . . . . 0.0 109.866 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--N 1.331 -0.213 0 O-C-N 123.224 0.328 . . . . 0.0 110.536 -174.467 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -129.57 138.55 51.36 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.314 0.383 . . . . 0.0 111.06 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -127.72 138.2 52.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.01 136.56 8.51 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.775 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 43' ' ' PHE . 7.7 tp -116.46 129.76 72.38 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.7 p -129.67 158.95 37.93 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.19 149.7 26.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.863 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.35 159.57 28.69 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 119.489 -1.339 . . . . 0.0 114.572 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.41 163.45 34.41 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.762 2.308 . . . . 0.0 113.641 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.783 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -134.27 155.04 50.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.519 -176.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.523 -0.091 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.5 mt -125.01 151.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.25 156.75 43.6 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.33 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.73 145.62 17.49 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.12 157.74 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 111.675 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.17 154.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.39 -176.88 37.32 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.374 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.38 138.76 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.31 139.48 11.08 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -128.11 147.0 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 110.456 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.466 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.711 0.291 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.26 142.05 34.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -135.99 159.65 41.03 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.094 0.473 . . . . 0.0 111.81 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.99 175.5 30.7 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.16 142.46 45.75 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.1 p -134.15 151.12 51.2 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.914 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -156.16 160.13 39.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 -176.81 48.21 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.436 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.78 159.05 43.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 110.715 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.32 162.42 28.42 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.4 mp -122.14 145.94 47.7 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -115.39 133.69 55.8 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.388 0.43 . . . . 0.0 110.568 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.485 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.08 153.7 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.816 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 124' ' ' ASP . 3.6 tt -127.83 140.09 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.464 ' N ' HD23 ' A' ' 123' ' ' LEU . 22.8 t70 -131.04 137.97 49.41 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.487 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 123' ' ' LEU . 87.0 m-85 -123.41 135.76 54.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.226 174.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.1 t -143.05 142.63 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.173 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -109.18 120.62 43.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.738 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.52 138.16 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.694 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -127.58 146.5 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.791 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.6 m -135.46 148.05 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.037 -176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -117.84 120.86 39.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.388 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.38 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 15.6 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.905 1.282 . . . . 0.0 114.417 -165.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 m 75.33 -10.87 1.17 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 170.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -102.48 131.87 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 118.627 0.648 . . . . 0.0 109.534 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.12 124.68 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.774 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.8 t -119.45 133.08 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 126.47 6.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.444 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.65 138.5 52.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 111.063 -176.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.52 137.9 44.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 10' ' ' ALA . 42.2 mm -118.91 125.45 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.38 132.9 30.33 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.13 -177.95 36.51 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.96 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 158.34 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.793 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.98 156.78 25.68 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.808 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -127.72 143.18 51.16 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -101.88 137.61 39.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.603 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.377 179.423 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.731 0.3 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -126.33 144.1 50.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.117 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.9 m -126.35 133.14 51.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.417 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.35 129.19 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.807 HG22 ' HA3' ' A' ' 145' ' ' GLY . 21.3 p -136.33 163.12 31.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.161 0.505 . . . . 0.0 110.964 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.35 150.83 22.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.29 170.02 33.86 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.759 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -128.69 144.2 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.405 -0.397 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.23 147.64 42.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.99 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -117.07 140.16 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 m -120.03 137.59 54.01 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.098 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -103.04 124.84 49.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -106.53 107.77 18.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 110.249 -175.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.91 121.96 28.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.461 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.35 61.74 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.652 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 95.6 mt-30 -116.29 169.25 9.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.827 0.814 . . . . 0.0 110.107 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.7 ttm -102.06 146.74 27.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 69.61 145.36 0.05 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.923 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.11 162.12 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.234 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -122.41 161.43 23.5 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.06 141.23 12.14 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.92 168.0 29.39 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.596 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -128.57 150.92 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -132.21 144.21 50.48 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.167 0.292 . . . . 0.0 110.975 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.57 137.06 54.43 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -129.13 144.23 51.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.207 0.527 . . . . 0.0 111.734 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -121.99 139.07 54.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.99 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -129.99 140.26 50.92 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.514 0.509 . . . . 0.0 111.557 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -129.47 138.57 51.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.462 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -133.08 148.09 52.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -97.32 146.49 25.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.531 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -103.42 -13.25 16.71 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -147.08 74.4 11.94 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.5 134.55 26.66 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.808 1.005 . . . . 0.0 113.032 -170.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.16 135.24 51.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.038 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 116.81 5.22 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.64 130.91 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.7 mt -123.93 130.81 73.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.74 129.82 7.63 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 t -128.12 137.05 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.945 0.402 . . . . 0.0 111.567 -173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -113.23 123.58 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -122.49 140.67 52.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.718 0.294 . . . . 0.0 111.265 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -129.24 130.38 46.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.504 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 m -130.78 142.04 50.38 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.224 0.327 . . . . 0.0 110.782 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.885 -178.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.532 -0.173 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -155.98 160.9 40.46 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.754 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.98 154.52 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.562 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.29 137.33 8.89 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.943 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 tt -116.13 126.65 73.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.635 HG22 ' HA3' ' A' ' 84' ' ' GLY . 74.8 p -131.28 161.97 31.11 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.148 0.499 . . . . 0.0 111.472 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.05 147.41 29.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.391 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.68 136.37 5.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.711 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.31 163.06 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 CA-C-N 120.039 1.919 . . . . 0.0 111.519 168.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 80' ' ' TYR . . . -145.89 147.81 32.17 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.926 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 -178.697 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.972 0.415 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.2 mp -124.94 151.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.443 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 48.2 p90 -146.05 159.03 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.201 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.574 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -136.36 150.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.92 0.39 . . . . 0.0 111.415 -173.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.54 153.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.58 -177.5 38.52 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.846 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.05 137.36 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.15 134.8 10.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 133.25 55.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.746 -175.289 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -95.79 142.27 28.27 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -126.92 151.02 49.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 111.926 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.34 170.43 25.49 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -113.11 141.19 47.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.587 0.194 . . . . 0.0 110.602 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.2 m -132.34 145.77 51.5 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.791 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -153.27 161.03 42.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.691 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.74 -176.18 47.86 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.413 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.49 156.79 45.19 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.71 163.78 29.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.417 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 113' ' ' LEU . 4.9 mp -128.93 149.06 50.95 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -112.5 138.15 49.68 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.53 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.475 -178.656 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.109 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.48 150.58 48.77 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.704 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.8 mt -118.34 144.28 45.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.725 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -127.87 129.79 47.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.571 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -126.55 130.45 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.594 0.559 . . . . 0.0 109.559 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -143.02 157.09 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 111.187 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -112.94 126.27 55.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.446 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.92 137.71 54.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.096 0.474 . . . . 0.0 111.362 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -128.47 142.65 51.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.169 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.0 t -138.08 144.34 40.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.253 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -117.31 118.09 31.31 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.45 94.91 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 16.68 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -165.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t 73.57 -8.33 1.39 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.27 132.66 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 118.608 0.64 . . . . 0.0 109.536 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -103.96 122.17 44.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.492 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.95 126.15 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 120.28 4.4 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 t -134.05 143.95 48.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.369 0.585 . . . . 0.0 111.864 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -113.01 132.82 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.243 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.6 tt -126.0 138.77 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.948 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -135.32 141.9 45.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.569 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.89 175.85 29.69 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.121 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.59 149.84 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.807 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.9 159.51 26.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -132.23 143.11 49.7 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -94.97 140.71 29.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.343 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.2 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.595 178.411 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.711 0.291 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -134.2 153.04 52.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -131.2 133.41 45.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.52 135.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -141.04 160.87 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 111.365 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.21 150.86 21.52 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 109.173 -1.571 . . . . 0.0 109.173 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 170.06 32.29 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.146 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -122.52 144.3 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.808 -0.696 . . . . 0.0 109.698 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.32 150.91 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -114.24 140.05 48.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -112.04 125.53 54.18 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.612 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -101.56 125.59 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -111.92 107.91 17.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.569 . . . . 0.0 110.409 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -86.89 121.82 29.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.664 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.48 65.15 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.656 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 62.8 tt0 -116.3 153.05 32.63 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.666 0.733 . . . . 0.0 109.433 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 94.8 mmm -89.83 158.6 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 65.62 125.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -84.12 162.14 20.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.604 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.0 mtt -125.01 159.35 31.51 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.059 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.41 139.03 11.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.736 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -152.15 168.14 31.32 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.999 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -132.53 157.17 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -144.1 150.16 37.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.133 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.98 135.79 52.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -119.78 138.29 53.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 0.0 111.194 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.97 138.0 54.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.873 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -127.05 140.09 52.54 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.254 0.346 . . . . 0.0 111.213 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.14 136.27 55.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.36 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.86 146.29 50.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.77 0.319 . . . . 0.0 111.231 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.88 140.02 31.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.214 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.5 -45.27 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -104.08 -13.29 16.32 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -147.25 72.94 12.01 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.02 134.49 19.68 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 120.824 1.016 . . . . 0.0 113.388 -169.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.2 mt -126.32 135.15 51.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.86 116.76 5.2 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -173.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -126.06 130.63 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.567 HD11 ' CD1' ' A' ' 80' ' ' TYR . 46.0 pt -126.19 141.49 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.96 129.89 8.33 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -128.28 137.03 51.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 110.889 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -122.03 130.2 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 172.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.2 m -123.18 137.35 54.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -125.17 126.95 46.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.485 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.736 HG22 ' HA3' ' A' ' 23' ' ' GLY . 32.2 p -127.27 150.16 49.68 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.267 0.355 . . . . 0.0 110.212 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.904 -178.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.383 0.135 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -147.82 133.16 18.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -132.34 135.36 46.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.97 137.28 9.01 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.846 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -116.02 129.9 71.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -132.09 160.31 36.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.177 0.513 . . . . 0.0 111.468 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.15 147.83 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.944 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.03 139.09 6.84 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.156 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.43 163.19 34.84 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 CA-C-N 119.892 1.846 . . . . 0.0 111.852 167.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.82 152.51 51.15 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.2 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.528 0.204 . . . . 0.0 110.673 -176.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.231 0.103 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.489 HD12 HD21 ' A' ' 113' ' ' LEU . 15.8 tt -124.96 151.65 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.711 -0.396 . . . . 0.0 109.943 -175.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 40' ' ' ILE . 48.9 p90 -147.65 159.08 44.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.044 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.65 17.62 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.22 152.15 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 111.343 -172.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.67 153.74 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.556 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.85 -177.92 38.97 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 119.871 -1.157 . . . . 0.0 112.187 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.03 142.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.99 155.0 21.41 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.567 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -117.51 135.13 54.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.756 -177.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -95.93 136.83 35.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.238 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.83 142.38 37.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.737 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -133.0 154.76 21.31 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -113.03 136.88 52.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -133.95 148.15 51.14 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.541 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -149.71 152.44 35.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.063 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -175.56 -176.01 43.46 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.721 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.45 158.43 43.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.75 158.43 27.67 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.771 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 79' ' ' ILE . 73.8 mt -130.54 146.25 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -121.23 140.32 52.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.542 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.399 177.649 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.26 37.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.366 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.52 141.53 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.05 135.1 46.24 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.359 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.63 145.02 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -143.08 155.14 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 111.152 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -111.73 119.47 38.76 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -122.55 138.01 54.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.06 0.457 . . . . 0.0 111.405 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -127.57 140.82 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.5 m -135.99 147.89 48.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -117.65 123.38 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.666 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.7 mt -127.41 94.86 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 14.87 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -164.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.9 m 75.17 -10.86 1.16 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.74 134.97 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 CA-C-N 118.499 0.59 . . . . 0.0 109.577 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.36 124.08 47.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.651 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.15 132.83 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 128.66 7.49 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.49 134.26 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.021 0.438 . . . . 0.0 111.218 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -110.61 128.22 55.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.301 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -119.79 130.55 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.699 0.285 . . . . 0.0 110.588 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.82 33.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.861 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.93 -179.69 33.95 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.174 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.63 146.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.91 167.02 25.78 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.833 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -130.35 143.09 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -105.1 140.75 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.598 179.138 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -122.91 147.42 46.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.055 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 m -127.92 133.2 49.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.466 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.47 130.25 72.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -141.0 157.01 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.465 . . . . 0.0 111.212 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 150.9 22.54 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.82 170.03 31.87 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.216 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -121.08 142.24 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.505 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 148.09 42.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.894 0.378 . . . . 0.0 111.543 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.52 140.18 49.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.187 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -119.18 137.83 53.35 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.902 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -117.08 139.01 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.17 114.73 16.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.909 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -76.41 121.94 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.515 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.13 -14.37 64.61 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.768 -175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -116.37 148.86 40.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.739 0.769 . . . . 0.0 109.483 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mtp -97.92 167.03 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 111.067 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.7 t30 70.53 120.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.917 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.07 153.61 42.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.899 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.1 156.3 35.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.516 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.47 141.99 13.11 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.07 168.06 31.26 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.252 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -120.85 148.89 43.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.125 -0.537 . . . . 0.0 109.675 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' HG23 ' A' ' 44' ' ' THR . 68.7 m-20 -128.95 138.64 52.1 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.013 0.196 . . . . 0.0 110.59 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.9 tp -127.2 135.92 51.33 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.38 143.32 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -173.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.05 137.12 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.518 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' NH2' HD11 ' A' ' 40' ' ' ILE . 26.4 ttm180 -132.63 140.1 48.04 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.832 0.349 . . . . 0.0 111.32 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -128.7 137.93 51.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.78 148.08 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 111.145 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -96.29 141.44 29.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.406 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.01 -45.11 86.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -103.56 -13.22 16.64 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -147.1 73.5 12.08 Favored Pre-proline 0 C--O 1.234 0.286 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.67 134.56 24.3 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 120.914 1.076 . . . . 0.0 113.226 -169.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -126.17 135.07 51.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 171.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.621 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.99 116.83 5.23 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.97 130.68 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.413 HD11 ' NH2' ' A' ' 29' ' ' ARG . 74.8 mt -128.78 130.94 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.653 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.08 129.59 8.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -128.22 137.25 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.537 0.198 . . . . 0.0 110.807 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.41 131.23 54.7 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' OD1' ' A' ' 25' ' ' ASN . 65.6 m -114.18 134.73 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -118.13 120.95 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.828 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.444 0.465 . . . . 0.0 110.706 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.071 -177.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.509 0.195 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -137.59 133.07 33.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.23 137.35 52.87 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.12 137.2 8.22 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.657 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.9 pt -115.98 136.98 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.822 0.311 . . . . 0.0 110.2 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.549 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.5 p -133.8 161.06 35.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 111.281 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.84 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.326 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.53 142.27 9.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.774 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.39 163.09 35.12 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 CA-C-N 119.749 1.774 . . . . 0.0 111.503 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.62 144.68 37.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.498 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -177.407 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.23 0.069 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.99 151.96 31.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.12 159.05 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.28 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.39 145.62 17.63 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.3 m -135.3 151.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.725 -171.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG22 ' HD2' ' A' ' 109' ' ' TYR . 57.7 t -126.58 153.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 170.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.549 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.41 175.32 39.68 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.247 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.07 139.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.19 155.08 21.49 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.49 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -128.08 146.94 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.43 ' OD2' HD11 ' A' ' 132' ' ' ILE . 34.6 t0 -95.97 121.08 37.34 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -116.59 147.23 42.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 158.75 26.98 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.15 143.95 43.5 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -134.11 145.42 49.31 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.575 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.54 ' HD2' HG22 ' A' ' 83' ' ' VAL . 64.5 t80 -140.68 147.9 39.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.89 178.88 43.91 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.892 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.39 159.08 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.15 175.49 36.08 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.569 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -140.11 152.96 46.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 -179.454 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.479 HE21 ' HB3' ' A' ' 122' ' ' ALA . 62.6 tt0 -123.93 123.36 40.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.024 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.463 0.214 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.008 -176.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.461 0.088 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.494 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -127.18 155.39 43.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.446 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -114.62 140.14 49.06 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -122.29 127.02 49.35 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -125.87 135.89 52.45 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.511 0.507 . . . . 0.0 109.769 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.1 m -142.92 151.38 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -114.71 126.31 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -125.3 138.06 54.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.186 0.517 . . . . 0.0 111.466 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -130.36 135.74 48.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.8 t -140.53 148.03 40.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 0.0 111.206 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -114.48 124.57 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.677 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.522 HG23 ' HB ' ' A' ' 135' ' ' VAL . 13.5 tt -127.47 94.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 17.14 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -164.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.0 p 76.92 -13.46 0.94 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.522 ' HB ' HG23 ' A' ' 132' ' ' ILE . 45.1 t -102.19 131.18 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.499 0.591 . . . . 0.0 109.685 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.01 121.55 43.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.367 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.13 137.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.06 9.93 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.452 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 29.1 m -121.5 133.54 55.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.066 0.46 . . . . 0.0 111.262 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -108.54 121.93 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.501 HD13 ' N ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -127.99 137.08 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.204 0.525 . . . . 0.0 111.061 -174.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.501 ' N ' HD13 ' A' ' 141' ' ' ILE . . . -140.06 139.8 35.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.612 173.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.19 175.92 29.05 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.103 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.97 144.95 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.83 162.43 26.67 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.702 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -136.35 143.26 43.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.449 -0.375 . . . . 0.0 110.113 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -105.43 139.32 40.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.418 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.635 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.683 0.278 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -127.95 142.35 51.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.424 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.0 m -127.3 133.14 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.298 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.5 t -119.91 131.28 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -135.4 146.28 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.269 0.355 . . . . 0.0 110.965 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.81 22.61 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.11 170.21 36.16 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.071 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -124.55 144.12 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.14 149.15 44.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.297 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.6 140.12 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.533 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -122.73 146.29 47.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.269 . . . . 0.0 110.846 -175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -126.69 138.93 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.422 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -102.18 107.88 19.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.397 0.618 . . . . 0.0 110.018 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.13 121.89 20.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.807 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.98 -14.64 64.34 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.637 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -116.61 155.36 28.88 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.76 0.78 . . . . 0.0 110.11 169.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.04 97.77 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.301 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 51.4 p30 -176.06 164.83 2.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -135.07 150.85 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.439 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.1 mtp -132.64 152.59 51.62 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.451 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.33 134.33 7.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.45 168.05 28.52 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.825 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 26' ' ' LEU . 22.6 t80 -129.06 150.69 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 44' ' ' THR . 54.7 m-20 -131.73 137.81 48.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -123.07 135.99 54.64 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -138.96 153.11 48.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.48 0.657 . . . . 0.0 112.679 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -125.29 139.18 53.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.331 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HB2' HG22 ' A' ' 40' ' ' ILE . 28.2 ttp180 -129.5 140.1 51.36 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.478 0.486 . . . . 0.0 111.253 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.11 142.13 50.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -127.8 148.11 50.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -84.76 142.3 29.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.31 -45.14 77.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.0 -13.34 16.35 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -147.25 72.91 12.02 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.75 134.36 29.97 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.937 1.092 . . . . 0.0 113.118 -169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -126.21 135.1 51.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 168.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.9 116.66 5.18 Favored Glycine 0 C--N 1.333 0.407 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -174.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.55 130.67 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 29' ' ' ARG . 47.7 pt -128.25 142.23 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.738 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.33 129.92 7.76 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m -128.05 137.32 52.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.797 0.298 . . . . 0.0 111.158 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -111.57 124.28 51.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.63 HG23 ' OD1' ' A' ' 25' ' ' ASN . 86.2 m -112.26 131.25 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.64 128.43 45.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -140.0 156.87 46.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.985 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 CA--C 1.522 -0.111 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -140.05 133.51 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -135.99 157.01 47.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.26 137.21 7.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 65' ' ' ILE . 16.0 tt -116.06 126.02 73.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.539 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.6 p -132.51 162.64 30.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.41 148.42 33.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.595 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.38 135.0 4.89 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.403 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.44 163.27 34.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.983 1.891 . . . . 0.0 111.673 165.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -135.26 151.5 50.63 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.826 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.543 -179.355 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.462 0.128 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -125.06 151.59 30.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 66.8 m-85 -131.85 146.06 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.955 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.84 145.46 17.42 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.63 152.05 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.985 0.421 . . . . 0.0 111.748 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.77 153.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.338 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -172.75 -171.99 38.03 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.952 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -128.69 148.16 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.36 141.9 13.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.96 132.09 49.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.742 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -178.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.736 0.303 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -95.93 131.01 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.293 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -126.98 136.96 52.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.54 160.76 26.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -111.76 135.08 52.85 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.8 m -130.01 145.64 51.66 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.491 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -153.57 160.11 42.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.16 -176.85 48.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.761 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.35 159.13 44.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.9 166.89 30.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.2 mp -124.43 148.89 47.31 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -112.19 134.11 53.93 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 123.185 0.303 . . . . 0.0 110.44 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--N 1.332 -0.157 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.9 148.91 38.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.293 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.2 mm? -110.5 141.63 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -127.25 127.01 43.71 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.264 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.78 130.29 53.3 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 t -143.06 147.73 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -111.73 123.38 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.597 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -113.82 138.07 50.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 111.073 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -122.53 134.75 54.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.499 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -130.51 132.07 45.42 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -119.28 126.38 51.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 132' ' ' ILE . 11.2 tt -127.42 118.36 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -47.07 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.945 0.778 . . . . 0.0 112.77 -159.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 24.3 p 149.93 -54.24 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 125.396 1.685 . . . . 0.0 109.387 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.4 t -109.29 136.0 46.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -170.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.18 117.96 35.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.16 134.14 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.64 0.257 . . . . 0.0 110.395 -175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 134.02 9.95 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.484 HG22 ' HB1' ' A' ' 10' ' ' ALA . 31.8 m -132.16 136.03 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.272 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -110.07 127.12 54.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.0 tt -129.43 139.57 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 111.108 -176.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.1 142.81 36.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.671 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -154.75 -177.92 28.56 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.956 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 123' ' ' LEU . 34.5 m -133.12 150.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.61 159.34 26.81 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.656 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -137.33 143.14 41.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -112.65 139.14 48.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.729 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.489 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.461 0.092 0 CA-C-O 120.769 0.319 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -129.01 151.02 50.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 m -129.78 133.13 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.16 130.14 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.8 t -141.03 160.23 40.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.33 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 150.89 22.51 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.42 170.05 31.62 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.119 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -125.45 144.31 50.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.767 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.25 149.94 44.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.874 0.368 . . . . 0.0 111.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -111.32 140.05 46.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.263 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 t -117.48 137.11 52.75 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.103 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -130.09 138.82 50.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -137.02 121.38 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.382 0.611 . . . . 0.0 111.01 -171.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -77.17 123.35 26.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.911 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.1 -14.17 60.0 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 123.894 0.746 . . . . 0.0 112.577 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 62.7 tt0 -116.13 151.75 35.02 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.741 0.771 . . . . 0.0 109.793 176.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -97.42 151.23 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.81 142.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.733 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -83.98 162.08 20.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.119 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.21 164.03 22.58 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.14 139.84 11.36 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.36 167.98 27.89 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.907 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -132.43 158.06 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 44' ' ' THR . 18.6 t-20 -140.28 140.32 35.69 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.469 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -124.98 139.45 53.81 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -129.77 147.16 51.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.212 0.529 . . . . 0.0 111.845 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.96 139.08 54.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.7 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -130.59 139.6 50.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 111.242 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -131.99 141.48 49.29 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.29 148.2 44.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -92.81 140.2 29.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.69 -45.0 84.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -101.25 -13.25 18.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -147.17 72.94 12.09 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 134.48 19.7 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.858 1.039 . . . . 0.0 113.427 -169.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 135.18 51.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.492 -1.231 . . . . 0.0 107.765 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.72 116.7 5.17 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 -173.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.17 130.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.0 131.06 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.408 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.75 129.89 8.65 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 p -128.14 137.13 51.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.991 0.396 . . . . 0.0 111.106 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -113.56 121.84 45.44 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 25' ' ' ASN . 71.2 p -111.93 136.57 51.08 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.346 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.69 124.01 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -124.81 139.12 54.13 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.599 0.562 . . . . 0.0 110.123 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.239 -175.058 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.462 0.147 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -124.44 133.7 53.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.968 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -131.69 134.82 46.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.96 137.05 9.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.956 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' ILE . 16.5 tt -116.34 127.24 74.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -140.02 159.23 42.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 111.271 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.9 39.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.413 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.597 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -149.32 140.67 8.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.725 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.36 163.23 34.94 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 CA-C-N 119.75 1.775 . . . . 0.0 111.5 168.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.27 150.6 52.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.731 0.301 . . . . 0.0 110.476 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--N 1.331 -0.202 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.524 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.46 0.074 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -124.98 151.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -148.05 156.31 42.49 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.178 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.6 145.58 17.02 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.597 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -135.04 153.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 111.559 -170.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.25 153.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.44 -172.04 37.16 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.834 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.5 146.58 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.44 14.32 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -119.92 140.39 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 177.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.688 0.28 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -96.06 144.82 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.064 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -136.03 154.17 51.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.116 0.484 . . . . 0.0 111.466 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.564 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -152.05 175.99 30.54 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 177.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -113.28 147.41 37.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.195 0.045 . . . . 0.0 111.026 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 96.4 p -134.06 148.77 51.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.011 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -149.84 153.79 37.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.333 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.78 -179.48 47.92 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.938 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.87 44.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.41 164.57 28.37 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.821 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -117.46 134.89 54.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.132 0.27 . . . . 0.0 110.547 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.331 -0.216 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.649 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.93 151.58 33.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 tt -115.47 135.28 54.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.022 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.58 129.42 53.76 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -131.07 130.05 42.73 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -143.09 155.34 44.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 111.804 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -109.44 131.19 55.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.485 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -127.08 138.06 53.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.45 141.36 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.3 t -143.91 148.07 34.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.411 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -111.35 122.86 48.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.43 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.564 HD13 ' HA3' ' A' ' 106' ' ' GLY . 44.0 mm -127.26 94.88 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 16.69 95.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -164.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 75.4 -12.18 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -104.2 133.0 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 118.553 0.615 . . . . 0.0 109.709 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -104.01 119.67 39.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.187 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.8 p -121.21 136.96 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 110.951 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.19 134.0 9.89 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -130.3 144.04 51.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.13 0.465 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -111.75 126.86 55.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -116.56 126.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.41 137.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.823 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.07 -177.94 34.61 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.908 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.75 150.94 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.68 169.0 26.68 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.051 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -134.58 143.18 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -108.84 143.27 38.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.0 110.91 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.482 179.476 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -120.91 146.29 46.78 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 m -129.74 133.23 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.394 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -122.85 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 20.5 p -139.72 166.3 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.256 0.551 . . . . 0.0 110.841 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 150.8 22.65 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.94 167.96 32.29 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -123.21 143.76 49.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.787 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.31 145.85 39.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -121.47 140.08 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.1 p -124.04 146.05 48.81 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.002 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -122.34 130.41 53.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.931 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.192 0.52 . . . . 0.0 110.25 -175.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.14 121.88 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.472 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.58 -14.41 61.99 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.641 -173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 54.1 tp60 -116.37 147.67 41.39 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 117.655 0.728 . . . . 0.0 109.322 172.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.88 160.07 17.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 66.61 142.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.925 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -92.21 162.12 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.337 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mtp -122.41 159.5 27.41 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.32 141.84 13.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.94 168.19 32.87 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.568 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.86 156.38 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' A' ' 44' ' ' THR . 75.9 m-20 -134.47 141.34 46.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.029 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.97 135.92 54.66 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -124.56 139.46 53.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.138 0.494 . . . . 0.0 111.411 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -122.03 139.12 54.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.608 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -128.15 140.04 52.15 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.927 0.394 . . . . 0.0 111.57 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.14 139.77 53.1 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.246 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -139.62 148.09 41.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.35 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -88.91 146.67 24.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.384 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.42 -45.01 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -101.25 -13.24 18.16 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 72.89 12.12 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.05 134.56 19.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 120.925 1.083 . . . . 0.0 113.422 -171.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -126.19 135.29 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 170.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.72 5.18 Favored Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.99 130.72 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -123.99 131.01 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.541 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.3 129.91 8.72 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -128.08 137.04 51.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.49 127.54 54.51 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 25' ' ' ASN . 47.7 m -113.63 130.33 56.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.655 0.264 . . . . 0.0 110.368 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -123.12 120.85 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -130.35 146.6 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.425 . . . . 0.0 111.258 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.37 179.475 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 N--CA 1.463 0.185 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -130.9 137.04 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.652 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -122.98 136.89 55.03 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.39 134.49 7.63 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.612 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 65' ' ' ILE . 16.0 tt -116.25 125.86 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.604 HG22 ' HA3' ' A' ' 84' ' ' GLY . 76.2 p -131.65 160.12 36.34 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.069 0.461 . . . . 0.0 111.42 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.11 147.41 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.24 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 142.09 9.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.834 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.3 163.07 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 119.835 1.818 . . . . 0.0 111.566 168.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -141.55 143.18 33.62 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.626 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 66.5 t80 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.449 -177.094 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--O 1.231 0.099 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 tt -133.53 151.77 33.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.401 ' HH ' ' HG ' ' A' ' 126' ' ' SER . 48.6 p90 -148.09 158.85 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.84 145.61 17.24 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.806 -1.317 . . . . 0.0 109.806 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.575 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.4 m -136.32 152.61 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.351 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.34 153.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.604 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -167.13 -177.88 39.1 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.992 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -125.98 138.81 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 138.16 12.12 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -122.34 137.84 54.72 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.381 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.791 0.329 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -98.89 145.1 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.83 154.35 51.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.049 0.452 . . . . 0.0 111.598 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.67 168.68 30.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.16 142.64 45.53 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.5 p -134.08 148.87 51.08 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.73 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -155.84 162.26 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.761 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.46 -178.81 47.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.68 158.39 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -156.2 174.41 34.06 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.836 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.29 147.04 50.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.328 . . . . 0.0 110.238 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -125.0 127.34 46.85 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.365 0.415 . . . . 0.0 110.088 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.198 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.859 0.362 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.02 155.61 26.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.354 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.5 mp -121.77 146.02 47.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -133.25 138.84 46.64 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.581 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.31 142.87 39.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.831 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.401 ' HG ' ' HH ' ' A' ' 80' ' ' TYR . 8.9 m -143.12 157.0 44.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.72 122.95 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.71 137.99 52.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.205 0.526 . . . . 0.0 111.652 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -131.96 139.42 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.201 174.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -136.36 145.04 44.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.829 0.347 . . . . 0.0 110.784 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -116.97 121.01 40.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -127.42 94.76 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 14.74 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -164.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.6 m 73.14 -7.6 1.47 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.79 134.53 43.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.596 0.635 . . . . 0.0 109.35 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -104.08 120.98 42.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.36 133.13 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.14 129.12 7.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.67 134.27 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.081 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -107.69 131.14 54.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.34 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 10' ' ' ALA . 2.7 pp -123.94 139.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.06 137.19 29.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.612 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.54 179.24 32.53 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.877 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.93 156.43 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -142.24 157.97 26.7 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.668 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -131.94 143.05 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -109.16 141.22 41.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.574 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.548 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.669 0.271 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -129.42 144.22 51.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.2 p -128.32 133.27 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.347 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.36 127.92 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -134.27 148.89 50.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.87 22.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.38 170.02 34.45 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.0 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -126.49 144.29 50.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.969 -0.615 . . . . 0.0 109.998 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.01 144.79 39.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.045 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -116.8 140.09 49.83 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -120.19 139.73 52.2 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.065 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -110.9 139.08 46.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.185 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -103.07 107.89 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.377 0.608 . . . . 0.0 110.079 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -84.16 121.9 28.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.973 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 -14.63 59.22 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.624 -174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.635 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 63.3 tt0 -116.55 149.11 40.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 117.697 0.748 . . . . 0.0 109.59 170.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.14 97.79 9.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.251 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.64 158.01 1.0 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.083 0.468 . . . . 0.0 111.017 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -130.61 146.85 52.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.303 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -131.27 158.15 41.38 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.79 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.34 138.78 9.27 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.97 165.28 29.74 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.894 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.19 154.23 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -144.09 150.1 37.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.805 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.3 mt -123.81 136.55 54.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.437 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -120.37 139.35 52.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 111.225 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -121.9 139.09 54.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.769 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -132.46 140.12 48.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.426 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -119.64 141.92 48.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.371 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -132.54 145.27 51.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.346 . . . . 0.0 111.155 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -100.71 140.28 35.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.8 -45.17 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.17 -13.37 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -147.23 72.92 12.04 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.95 134.5 19.81 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 120.841 1.027 . . . . 0.0 113.349 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -126.13 135.16 51.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.792 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.89 116.84 5.23 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 119.863 -1.16 . . . . 0.0 110.281 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.96 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.5 mt -123.97 131.04 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.61 129.9 7.69 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -128.02 137.0 52.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.883 0.373 . . . . 0.0 111.364 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -112.56 123.28 49.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 m -118.38 136.31 53.82 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.089 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -120.07 122.9 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.105 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -126.93 143.7 51.21 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.101 0.25 . . . . 0.0 110.7 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.914 -178.15 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 . . . . . 0 CA--C 1.522 -0.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.11 157.24 42.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.347 0.594 . . . . 0.0 112.212 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.21 140.64 52.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.597 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 136.08 9.1 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.605 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.29 126.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p -129.84 157.6 41.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.06 0.457 . . . . 0.0 111.159 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.21 144.97 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.525 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -158.33 149.51 19.82 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.713 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 163.28 34.46 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.123 1.882 . . . . 0.0 112.382 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.792 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.51 154.98 47.8 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.777 0.322 . . . . 0.0 110.412 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.332 -0.185 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 113' ' ' LEU . 48.5 pt -130.64 151.93 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -147.9 158.95 44.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.379 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.61 145.39 16.77 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.525 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.5 m -137.39 156.61 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.523 -171.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.0 t -137.26 153.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.2 -176.39 37.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.943 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.96 148.81 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.04 140.05 11.43 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -117.12 130.81 56.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 -177.017 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.725 0.297 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.85 130.26 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.213 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -112.91 139.34 48.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.156 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.39 156.61 24.12 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -113.1 141.35 47.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.475 0.138 . . . . 0.0 110.634 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.2 m -134.07 149.83 51.16 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.229 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -154.0 159.39 41.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.79 47.68 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.571 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.9 159.61 41.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.69 158.25 27.61 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.734 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' ILE . 68.3 mt -121.55 142.19 50.33 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -113.29 132.51 55.53 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.12 0.262 . . . . 0.0 110.377 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.221 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 146' ' ' TYR . 34.6 m . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.74 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.7 mt -113.9 141.39 47.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.97 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -123.33 126.97 47.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -121.64 129.38 52.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -142.93 144.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.466 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -112.44 120.28 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.468 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -124.91 138.11 54.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 111.405 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -126.41 148.66 49.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.548 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.2 p -140.75 148.2 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -116.04 125.34 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.902 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.44 94.93 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 16.38 95.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -165.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 m 75.43 -11.65 1.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.342 170.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -104.05 133.19 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 118.667 0.667 . . . . 0.0 109.358 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -104.05 127.79 51.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.626 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.24 131.01 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.13 128.7 7.48 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 8.9 t -134.1 144.07 48.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 111.405 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -107.98 134.03 51.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.517 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.474 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -118.16 128.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.48 136.8 38.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.806 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.52 -179.4 31.49 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.007 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.94 149.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.01 26.45 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.057 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.482 ' CE1' HG12 ' A' ' 121' ' ' VAL . 77.1 m-85 -123.33 143.06 50.34 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -111.91 135.88 51.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.301 . . . . 0.0 110.634 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.533 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.779 0.323 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -123.97 140.49 52.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.405 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 147' ' ' ARG . 66.0 p -129.47 133.33 47.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.317 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.05 130.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 23.5 p -138.78 168.21 20.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.186 0.517 . . . . 0.0 110.977 -176.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 150.7 22.48 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 169.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.56 169.47 33.92 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.844 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -124.51 144.35 50.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.975 -0.613 . . . . 0.0 110.319 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.1 147.37 41.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -125.71 140.11 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.463 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 m -122.38 140.01 53.18 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.854 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -122.47 139.05 54.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.24 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.11 108.0 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.325 0.583 . . . . 0.0 110.291 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -80.5 121.88 26.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.04 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.35 -14.51 54.33 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.746 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 69.0 tp60 -116.42 145.17 43.46 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.621 0.71 . . . . 0.0 109.612 172.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.4 mtp -87.14 98.02 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.997 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -171.4 137.09 1.06 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.223 0.535 . . . . 0.0 111.817 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -134.96 134.16 40.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.1 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.4 mtm -132.62 150.74 52.11 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.715 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.42 135.4 8.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.683 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.94 168.23 30.01 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.387 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.34 155.66 38.35 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -144.05 150.12 37.71 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.754 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.9 mt -123.84 145.98 48.7 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.25 135.88 51.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.46 . . . . 0.0 111.214 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -121.96 139.18 53.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.544 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HG2' HG22 ' A' ' 40' ' ' ILE . 79.5 mtp180 -118.99 140.2 50.4 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.361 0.413 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -126.51 137.19 53.34 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.165 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -131.03 148.15 52.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 111.68 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -96.55 145.32 25.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.424 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -45.12 66.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.19 -13.3 16.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -147.15 79.28 9.95 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 134.44 31.91 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 120.708 0.939 . . . . 0.0 113.013 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.26 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.009 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.76 5.19 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.88 131.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 109.922 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 29' ' ' ARG . 30.6 pt -123.92 137.14 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.049 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.49 129.9 7.91 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 t -128.13 136.98 51.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -116.48 126.1 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 m -121.14 135.63 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.52 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -126.72 125.75 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.683 HG22 ' HA3' ' A' ' 23' ' ' GLY . 67.5 p -125.32 148.88 48.54 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.424 . . . . 0.0 110.206 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.93 -178.598 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 . . . . . 0 N--CA 1.463 0.216 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.36 139.34 51.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -133.9 138.67 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.61 137.15 8.95 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.616 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.7 tt -116.24 131.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.6 p -131.51 159.22 38.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.053 0.454 . . . . 0.0 111.347 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.88 145.76 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.454 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 138.5 6.55 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.174 -1.013 . . . . 0.0 112.887 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.3 163.09 35.33 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 CA-C-N 119.973 1.886 . . . . 0.0 111.492 168.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.39 153.48 42.73 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.008 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--N 1.332 -0.194 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.46 0.061 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.0 mt -124.91 151.77 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -146.07 157.08 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.181 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.9 145.68 17.64 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.454 HG12 ' HA3' ' A' ' 68' ' ' GLY . 30.8 m -136.4 150.54 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.154 0.477 . . . . 0.0 111.649 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.655 HG12 ' CD2' ' A' ' 109' ' ' TYR . 34.3 m -135.5 153.9 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.89 -177.8 39.96 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.343 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.49 139.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.04 140.47 11.92 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -128.07 147.02 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.642 0.258 . . . . 0.0 110.473 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.516 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -108.52 139.05 43.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -136.09 155.42 50.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.35 . . . . 0.0 111.329 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.54 166.37 31.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.12 142.93 45.19 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 m -128.38 143.69 51.04 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.216 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.655 ' CD2' HG12 ' A' ' 83' ' ' VAL . 24.2 m-85 -140.89 149.13 41.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.625 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.28 179.3 45.71 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.211 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.46 153.17 39.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.7 168.13 28.06 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.16 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 140.43 52.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.22 131.81 54.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.587 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 C--N 1.332 -0.165 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.797 -179.785 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.37 37.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.991 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.7 mp -116.62 140.53 49.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -177.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -122.55 127.56 49.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.386 0.429 . . . . 0.0 110.172 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.04 131.64 50.89 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.535 0.522 . . . . 0.0 109.648 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.0 t -143.16 153.34 42.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.042 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -109.93 122.07 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 139' ' ' THR . 45.2 tp10 -116.97 136.51 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -127.91 139.1 52.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.9 m -131.85 146.3 52.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -114.27 122.8 47.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.639 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.456 HD12 HG21 ' A' ' 137' ' ' VAL . 75.9 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 13.32 95.25 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -164.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m 74.78 -9.66 1.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.8 t -104.03 135.63 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 118.514 0.597 . . . . 0.0 109.552 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -102.4 122.27 43.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.53 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.456 HG21 HD12 ' A' ' 132' ' ' ILE . 44.7 t -114.21 131.37 66.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 123.05 5.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 128' ' ' GLU . 9.2 t -134.09 143.45 48.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -115.67 135.93 53.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.638 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.578 HG22 ' HB2' ' A' ' 10' ' ' ALA . 46.7 pt -116.33 137.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.41 134.42 29.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.456 173.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.72 173.84 32.36 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.249 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.0 t -129.41 145.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.93 158.14 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.785 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -133.6 143.05 48.4 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 4' ' ' THR . 27.4 ptt180 -125.62 144.45 50.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 0.0 111.319 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.462 178.643 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.292 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -124.35 141.68 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.374 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 m -129.39 133.09 47.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.06 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.13 133.34 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -139.69 154.8 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.781 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.71 150.87 22.0 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.78 170.04 31.85 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.134 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -119.92 144.13 47.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.583 . . . . 0.0 109.545 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.18 146.77 40.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.832 0.349 . . . . 0.0 111.252 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -121.21 140.15 52.42 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -118.54 137.76 53.0 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.814 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -111.51 139.04 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.334 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.85 107.97 19.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.238 0.542 . . . . 0.0 109.987 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -84.78 121.82 28.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.969 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.31 -14.71 60.27 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.68 -174.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.624 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 50.9 tt0 -116.5 144.95 43.69 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 117.683 0.742 . . . . 0.0 109.472 170.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.1 mtt -94.09 97.78 10.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.323 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.46 155.37 0.86 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.018 0.437 . . . . 0.0 111.093 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -130.99 146.41 52.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.497 173.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.0 mtp -132.65 158.57 41.95 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.968 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.14 141.18 12.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.25 168.15 31.94 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.9 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -128.35 150.72 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' A' ' 44' ' ' THR . 87.0 m-20 -125.75 139.49 53.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.475 0.179 . . . . 0.0 111.391 -176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.0 mt -122.89 137.21 55.0 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -128.55 146.57 50.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 112.039 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -121.86 139.04 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.765 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -120.96 139.32 53.42 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.295 0.372 . . . . 0.0 110.913 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -129.55 141.72 50.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -140.07 145.96 38.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.707 0.289 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -97.74 141.57 30.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.184 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -68.48 -45.04 73.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -104.18 -13.41 16.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -147.29 74.28 11.76 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.12 134.52 19.54 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 120.927 1.085 . . . . 0.0 113.497 -170.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.13 135.22 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.77 116.61 5.15 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 119.7 -1.238 . . . . 0.0 110.125 -171.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.96 130.73 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -123.89 131.82 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.4 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.8 129.86 8.88 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -127.94 137.09 52.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.987 0.394 . . . . 0.0 111.296 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -112.29 127.88 56.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.587 HG23 ' OD1' ' A' ' 25' ' ' ASN . 58.1 m -113.82 129.64 56.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.38 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -118.72 120.97 39.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -127.14 146.24 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.177 0.298 . . . . 0.0 110.559 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.234 0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.287 -176.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.46 0.058 0 CA-C-O 120.547 0.213 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -133.68 132.22 40.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -128.21 138.94 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.5 137.01 8.95 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.555 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.3 t -140.11 160.18 40.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.039 0.447 . . . . 0.0 111.753 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.78 151.71 37.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.328 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.592 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.4 135.61 5.29 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.035 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.38 163.22 34.89 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 CA-C-N 120.057 1.928 . . . . 0.0 111.992 167.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 80' ' ' TYR . . . -109.0 153.96 22.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.677 0.275 . . . . 0.0 110.811 178.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--N 1.333 -0.14 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.7 mt -124.84 151.7 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.818 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 66.3 m-85 -134.06 147.92 50.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.91 145.38 17.37 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' HA3' ' A' ' 68' ' ' GLY . 29.6 m -138.49 154.1 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.597 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.11 153.65 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 170.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.89 -178.59 39.45 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.865 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.35 140.69 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.44 148.96 18.86 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -128.07 144.24 51.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.321 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.231 0.109 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -98.77 139.27 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.514 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -136.06 155.12 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.02 32.84 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.08 142.98 45.11 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.9 m -133.99 147.69 51.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.972 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -152.85 161.39 42.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.0 -177.14 47.71 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.563 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.8 43.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.589 0.233 . . . . 0.0 110.543 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.3 161.55 27.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.552 -178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.2 mp -125.3 152.91 44.05 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -109.89 139.23 45.2 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.785 177.126 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.528 0.123 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 140.95 48.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 144' ' ' VAL . 18.0 tp -116.24 132.82 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.66 134.49 53.74 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.482 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.425 ' HE1' HD23 ' A' ' 123' ' ' LEU . 96.4 m-85 -127.79 138.78 52.85 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.933 0.771 . . . . 0.0 109.536 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.449 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.5 m -142.98 157.02 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.109 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -109.97 121.65 45.73 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -116.31 134.38 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.008 0.432 . . . . 0.0 111.306 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -130.09 141.26 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.288 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -137.96 146.34 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -118.85 123.21 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.797 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.6 mt -127.49 94.88 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 15.06 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -165.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t 74.45 -9.06 1.36 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.88 134.46 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.11 129.43 51.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.673 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.0 t -120.06 135.11 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 123.99 5.72 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.418 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.4 m -125.55 133.86 52.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.39 132.51 54.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.375 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.911 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 pt -121.99 141.51 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.278 0.561 . . . . 0.0 111.118 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 138.23 29.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.425 172.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.08 178.49 36.12 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.155 -1.022 . . . . 0.0 112.168 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 123' ' ' LEU . 35.8 m -133.19 151.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.67 162.68 26.98 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.89 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -136.9 143.08 42.78 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -119.08 145.59 45.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.122 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.763 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.494 HG21 ' NH2' ' A' ' 147' ' ' ARG . 66.0 p . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.699 0.285 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -126.32 148.57 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.206 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -127.56 133.24 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.86 127.99 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.64 HG23 ' C ' ' A' ' 144' ' ' VAL . 7.1 m -137.49 146.65 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.245 0.341 . . . . 0.0 110.483 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 150.86 21.44 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.17 170.1 33.8 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.747 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -124.4 144.23 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.164 -0.518 . . . . 0.0 109.698 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 144.38 38.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.28 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -118.53 140.04 50.51 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -119.76 138.56 53.25 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.993 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -103.49 139.02 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.67 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -117.68 107.93 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -173.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -86.25 121.86 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.573 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.51 59.48 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.726 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.67 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.8 tp60 -116.48 145.33 43.38 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 117.611 0.705 . . . . 0.0 109.221 171.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -88.0 160.43 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 71.45 141.86 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.964 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -90.93 162.08 14.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.071 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -123.43 153.07 40.94 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.552 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.96 138.61 10.04 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.01 168.18 32.37 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.199 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.65 153.49 39.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.627 ' C ' HD22 ' A' ' 26' ' ' LEU . 65.5 m-20 -134.48 141.14 46.66 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.07 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.86 135.97 54.7 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.72 140.91 51.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.143 0.497 . . . . 0.0 111.968 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -127.63 139.16 52.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.705 175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.11 140.33 39.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.837 0.351 . . . . 0.0 111.764 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -122.99 141.95 51.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -122.13 145.88 47.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -96.49 139.89 31.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.375 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -66.93 -45.07 78.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -173.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.1 -13.33 16.3 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.03 134.39 36.79 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.765 0.977 . . . . 0.0 113.075 -169.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 tp -126.27 135.29 51.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.234 171.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.563 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.74 116.71 5.18 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -175.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.92 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 80' ' ' TYR . 71.3 mt -124.05 130.81 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.36 129.98 6.44 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -126.3 137.11 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.931 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -106.59 124.31 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' CG ' ' A' ' 25' ' ' ASN . 49.6 p -114.02 134.57 54.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -175.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -127.82 120.97 28.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 18.4 p -128.72 154.47 46.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.847 0.356 . . . . 0.0 110.329 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.942 178.497 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -132.16 127.47 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.22 0.325 . . . . 0.0 110.547 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -121.76 137.64 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.75 135.14 7.52 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.749 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.524 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.31 133.6 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.268 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -140.21 159.24 42.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.029 0.442 . . . . 0.0 111.467 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.69 150.59 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.482 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.86 156.7 28.27 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.247 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.36 163.37 34.67 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.656 2.237 . . . . 0.0 113.321 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -128.45 155.05 45.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.193 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.231 0.127 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.688 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.461 0.094 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -124.98 151.6 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 40' ' ' ILE . 43.5 p90 -148.15 158.66 44.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.388 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.63 145.66 17.12 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.76 157.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.396 0.598 . . . . 0.0 111.723 -171.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 109' ' ' TYR . 42.0 t -131.96 153.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.8 178.86 37.5 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.091 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.61 144.72 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.59 150.9 19.8 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.801 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -123.73 135.03 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 178.458 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.768 0.318 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -95.99 136.12 36.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.386 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -116.89 140.27 49.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.561 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.61 156.12 24.55 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.469 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.13 144.18 43.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -130.54 144.56 51.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.685 0.279 . . . . 0.0 111.378 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.475 ' HD2' HG22 ' A' ' 83' ' ' VAL . 40.1 t80 -142.14 144.55 33.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.419 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.22 179.33 43.89 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.35 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.86 159.14 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.26 158.33 27.44 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.688 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.82 139.84 53.58 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -112.69 131.78 55.49 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.117 0.261 . . . . 0.0 110.308 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.588 -179.773 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.231 0.083 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.08 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.393 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -111.34 140.56 45.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -125.41 126.98 45.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.43 132.57 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -135.77 149.34 49.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.128 0.49 . . . . 0.0 111.61 -176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.89 118.85 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -118.99 134.69 55.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.029 0.443 . . . . 0.0 111.287 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.81 135.16 52.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -131.22 145.37 51.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -117.97 122.23 42.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.578 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.0 mt -127.41 94.77 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 15.11 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 74.75 -9.92 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 171.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.4 t -103.45 134.57 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 118.485 0.584 . . . . 0.0 109.663 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -103.95 127.65 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.779 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -121.02 133.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 124.49 5.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.526 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.2 m -123.22 137.29 54.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.051 0.453 . . . . 0.0 111.305 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -108.38 122.13 46.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.368 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.485 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.4 mt -116.2 128.69 73.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.47 138.74 34.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.096 174.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.71 -178.03 35.28 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.674 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.64 ' C ' HG23 ' A' ' 6' ' ' THR . 35.5 m -137.63 153.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.9 165.8 28.02 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.837 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -133.15 143.2 49.07 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.494 ' NH2' HG21 ' A' ' 2' ' ' THR . 66.9 ttt180 -99.32 139.32 35.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -177.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.986 178.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.2 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.769 0.319 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -129.49 151.81 49.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.438 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.7 m -131.0 133.17 45.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.61 132.61 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -141.05 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.87 151.0 23.0 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.95 170.05 32.55 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.888 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -125.17 144.17 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.246 -0.477 . . . . 0.0 109.817 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.16 146.54 40.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.169 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -114.18 140.1 48.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.361 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 m -118.79 140.34 50.11 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.957 -174.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -113.14 138.49 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.238 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.73 107.95 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.208 0.528 . . . . 0.0 110.222 -175.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -82.97 121.83 27.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.922 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -14.58 60.89 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.73 -175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.601 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.0 tp60 -116.59 141.33 48.33 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.602 0.701 . . . . 0.0 109.431 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.3 mtm -91.59 97.81 11.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.35 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -177.6 152.97 0.84 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 111.37 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -124.82 143.68 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.9 mtm -132.41 158.65 41.45 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.219 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.0 136.39 7.51 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.72 168.03 29.27 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.601 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.56 153.51 40.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.626 ' C ' HD22 ' A' ' 26' ' ' LEU . 58.8 t30 -131.55 138.67 49.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.197 -175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 135.87 54.66 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -134.23 139.17 45.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.047 0.451 . . . . 0.0 111.48 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.96 136.37 54.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.963 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -138.04 140.21 39.97 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 0.0 111.072 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -131.11 142.03 50.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.823 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -131.15 147.71 52.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -93.28 141.37 28.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.545 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.17 -45.14 77.87 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -103.85 -13.32 16.44 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 p -147.11 75.54 11.61 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.1 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 120.874 1.049 . . . . 0.0 113.418 -168.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.0 tp -126.26 135.1 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.03 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.778 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.95 116.82 5.23 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -175.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.89 130.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.596 HD11 ' CG1' ' A' ' 82' ' ' VAL . 41.9 pt -130.34 144.6 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.08 130.01 5.93 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -126.82 137.17 53.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -117.26 126.75 53.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -122.76 143.38 49.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.581 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -131.69 128.5 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.475 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.9 m -129.13 145.93 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.114 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.321 0.105 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -134.44 131.5 38.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.343 0.402 . . . . 0.0 110.415 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -128.98 143.52 50.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.86 137.2 8.28 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.668 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -116.14 127.56 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -130.76 160.54 34.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.044 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.55 157.79 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.571 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.01 163.02 30.36 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.469 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.37 163.32 34.74 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.758 2.305 . . . . 0.0 113.627 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.778 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.73 151.75 50.47 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.607 -175.317 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.467 HD12 HD21 ' A' ' 113' ' ' LEU . 16.0 tt -132.15 151.71 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -145.82 153.24 40.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.064 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.06 145.7 17.53 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.596 ' CG1' HD11 ' A' ' 40' ' ' ILE . 34.7 m -141.06 157.63 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.065 0.459 . . . . 0.0 111.693 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.5 153.72 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.18 -176.05 37.08 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.944 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.78 143.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.03 154.56 21.22 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.307 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -125.87 145.48 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.555 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.92 146.37 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -134.04 156.85 47.49 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 111.635 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -147.25 168.79 28.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.16 145.53 40.8 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 t -134.06 144.14 48.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.269 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -146.51 151.31 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.027 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.13 47.82 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.975 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.62 154.65 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.27 166.65 28.06 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.763 -176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.467 HD21 HD12 ' A' ' 79' ' ' ILE . 73.5 mt -130.4 155.05 47.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.81 141.36 52.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.719 0.295 . . . . 0.0 110.805 178.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.112 -178.747 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.231 0.12 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.89 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.436 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -112.3 142.06 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -131.13 139.71 49.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.449 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.33 144.61 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.91 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.6 t -143.19 152.58 41.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 111.049 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -105.8 114.91 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -114.19 138.07 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -133.2 140.84 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.755 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -133.57 147.43 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 111.011 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -117.08 120.09 37.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.555 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -127.46 94.83 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 16.49 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -165.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 p 73.35 -8.57 1.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.34 132.35 51.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.659 0.663 . . . . 0.0 109.335 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.94 122.43 45.18 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.632 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -113.82 132.76 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 125.74 6.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.561 HG22 ' HB1' ' A' ' 10' ' ' ALA . 39.1 m -128.76 133.85 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.257 -176.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -109.84 128.78 55.55 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -126.25 137.12 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 111.132 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -138.65 144.69 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.714 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.89 -177.94 33.44 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.65 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.26 147.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.03 164.16 26.52 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.633 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -136.46 143.2 43.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -118.3 143.98 46.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 111.08 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.884 179.685 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.729 0.3 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -127.64 141.97 51.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.0 m -128.53 133.16 48.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.138 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.26 134.45 66.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 144' ' ' VAL . 3.8 m -134.03 147.4 50.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 150.89 20.46 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.35 170.19 34.46 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.236 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -121.38 143.57 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.83 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 111.321 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -117.36 140.12 49.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.441 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -116.81 131.13 57.03 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.806 -174.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -108.8 139.04 44.18 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -119.34 107.99 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 110.747 -173.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -84.67 121.82 28.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.741 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.37 -14.69 58.84 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.663 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.653 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.46 147.67 41.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.664 0.732 . . . . 0.0 109.27 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 93.1 mmm -89.58 164.92 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.966 0.412 . . . . 0.0 111.107 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 68.0 116.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.342 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -80.62 162.23 24.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.041 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.416 ' HB3' HG22 ' A' ' 46' ' ' THR . 80.4 mtp -133.18 164.02 27.98 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.745 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.84 142.61 13.81 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.58 167.06 28.67 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.39 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.99 150.1 41.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.131 -0.534 . . . . 0.0 109.631 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.49 136.97 53.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.816 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD13 ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -122.86 135.99 54.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' HD13 ' A' ' 26' ' ' LEU . 49.8 tttm -129.7 135.77 48.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 111.753 -171.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -126.34 137.83 53.51 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -136.33 140.08 43.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -126.57 141.7 51.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.455 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -131.93 146.63 52.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.27 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.3 146.07 24.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.144 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.62 -45.22 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -104.29 -13.29 16.21 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -147.23 76.73 11.07 Favored Pre-proline 0 C--O 1.234 0.263 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.5 134.4 28.43 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.709 0.939 . . . . 0.0 113.197 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -126.35 134.93 50.94 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 170.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' HD13 ' A' ' 37' ' ' LEU . . . -92.86 116.72 5.19 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 119.751 -1.214 . . . . 0.0 110.207 -174.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.69 130.74 73.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 80' ' ' TYR . 47.3 pt -129.66 142.76 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.78 129.98 7.26 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -127.99 137.03 52.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.49 127.97 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.9 m -120.13 133.09 55.6 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.5 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -122.08 122.79 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 21' ' ' MET . 58.7 m -125.4 139.44 53.66 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.43 0.456 . . . . 0.0 110.315 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 . . . . . 0 C--N 1.331 -0.211 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -174.735 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.184 0.04 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -149.45 155.59 40.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.214 0.53 . . . . 0.0 111.703 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.41 143.7 51.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.93 135.46 8.49 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.0 mt -116.26 125.83 73.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -140.13 160.02 40.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.026 0.441 . . . . 0.0 111.578 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.46 154.63 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.359 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.56 140.39 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.099 -1.048 . . . . 0.0 112.902 -177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 163.09 35.04 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 CA-C-N 119.697 1.749 . . . . 0.0 111.595 166.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.87 152.78 41.59 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.166 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.2 t80 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.613 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.58 ' O ' HD12 ' A' ' 113' ' ' LEU . 88.3 p . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.04 151.63 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 40' ' ' ILE . 49.2 p90 -148.0 157.42 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.885 176.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -134.04 145.66 17.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.514 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.2 m -136.14 151.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 111.416 -172.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.85 153.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.54 39.18 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.028 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -129.99 139.88 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.37 137.54 10.71 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.04 138.55 52.62 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -176.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.461 0.116 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -95.93 132.72 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -134.66 155.53 50.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.122 0.487 . . . . 0.0 112.144 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.53 171.7 30.35 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.04 143.57 44.09 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.2 m -131.98 146.68 52.24 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.23 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -147.24 151.34 36.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.929 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.75 -178.33 44.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.847 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.03 157.91 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.24 161.61 28.5 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.82 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 78' ' ' SER . 14.6 tp -127.48 138.3 52.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.15 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.2 p90 . . . . . 0 N--CA 1.465 0.283 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.396 -175.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.04 157.01 47.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.114 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.6 mt -116.05 146.07 42.48 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -123.57 126.93 47.54 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.141 0.275 . . . . 0.0 110.296 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -119.82 126.3 50.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.301 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -143.06 146.19 33.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -117.28 121.36 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.685 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.97 136.92 54.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.969 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -125.27 145.02 50.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.4 t -137.66 146.39 43.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 111.085 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -118.37 121.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.492 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 135' ' ' VAL . 14.0 tt -127.56 95.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 17.05 95.16 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -165.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t 74.2 -8.67 1.4 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 169.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.549 ' HB ' HG23 ' A' ' 132' ' ' ILE . 46.0 t -105.63 135.29 44.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.573 0.624 . . . . 0.0 109.37 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.0 127.46 51.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.49 128.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.17 127.2 6.86 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 59.4 p -125.74 144.07 50.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.155 0.503 . . . . 0.0 111.15 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -118.11 121.96 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.45 136.96 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 111.197 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.18 143.65 34.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.52 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.81 -177.98 30.46 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.232 -0.985 . . . . 0.0 112.207 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.611 ' C ' HG23 ' A' ' 6' ' ' THR . 11.2 p -136.8 149.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 160.73 26.73 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.627 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -128.33 143.09 50.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.387 -0.406 . . . . 0.0 109.967 -177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -108.27 135.74 49.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.411 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -125.24 149.14 48.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.13 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HD3' ' A' ' 147' ' ' ARG . 26.7 m -127.18 133.14 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.104 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.07 134.02 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 t -141.03 156.32 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.054 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 151.03 21.88 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.97 31.47 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.286 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -117.84 143.31 46.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.19 144.28 38.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -121.8 140.09 52.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.293 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -125.39 147.17 49.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -130.0 139.09 51.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.213 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.35 107.8 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.448 0.642 . . . . 0.0 110.078 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.36 121.91 18.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.936 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.75 -14.69 64.42 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.607 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -116.51 158.25 23.91 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.773 0.786 . . . . 0.0 109.961 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.0 mtt -102.06 97.94 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -175.92 152.51 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.971 0.415 . . . . 0.0 111.705 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.4 145.67 49.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.721 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.8 mtp -135.08 158.47 44.28 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.662 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' HG23 ' A' ' 46' ' ' THR . . . -137.44 138.79 9.96 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.9 168.05 28.78 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.202 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.56 150.55 41.49 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.632 ' C ' HD22 ' A' ' 26' ' ' LEU . 6.8 p30 -132.62 140.17 48.09 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.116 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 136.5 54.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -129.57 144.8 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.199 0.523 . . . . 0.0 111.836 -174.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -124.48 138.99 54.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.962 174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -138.02 140.1 39.96 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 123.212 0.32 . . . . 0.0 111.523 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.62 142.0 51.12 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.0 148.07 51.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.299 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -102.06 141.03 35.54 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.303 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.13 -45.22 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -104.08 -13.39 16.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.22 72.9 12.05 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.06 134.48 19.59 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 120.908 1.072 . . . . 0.0 113.414 -170.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 37' ' ' LEU . 8.7 tt -126.12 127.35 45.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 169.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.09 116.93 5.27 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.416 -172.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.36 130.68 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -125.23 130.99 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.581 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.8 129.84 8.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -128.1 137.1 52.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -116.51 128.79 55.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -119.64 133.54 55.6 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.999 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.39 122.82 41.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 108.956 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 22' ' ' GLY . 5.3 m -127.56 144.61 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.415 -177.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.54 0.21 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -134.29 132.93 40.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.074 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -132.88 138.14 46.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.31 137.15 8.87 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.973 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.19 126.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.15 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.063 0.459 . . . . 0.0 111.74 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.61 152.58 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.433 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.51 139.4 6.98 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.803 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -75.46 163.19 34.77 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 CA-C-N 119.826 1.813 . . . . 0.0 111.949 168.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.11 151.56 46.78 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.438 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.592 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.233 0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -124.92 151.8 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -148.03 159.14 44.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.085 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.87 145.57 17.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.79 151.79 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 111.406 -172.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.03 153.76 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.94 -177.39 38.66 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.888 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.35 139.44 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.66 14.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -124.92 143.97 50.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.732 0.301 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -98.26 144.81 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -135.99 157.6 46.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 111.425 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.6 175.13 32.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.05 143.92 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.9 p -134.05 149.06 51.13 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -154.45 162.38 41.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.09 -175.57 47.55 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.06 157.33 46.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.25 159.23 27.92 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.686 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.04 136.96 48.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -110.22 133.98 52.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.513 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.332 -0.155 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.764 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 152.24 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.169 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 144' ' ' VAL . 75.3 mt -111.67 141.69 44.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.206 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -120.32 126.91 51.7 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -123.38 129.6 51.52 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.0 m -143.05 153.68 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.366 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -114.13 124.87 53.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.359 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -121.6 135.19 55.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.022 0.439 . . . . 0.0 111.401 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -128.37 144.71 51.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.489 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -138.07 140.3 39.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -119.27 129.61 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.683 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -127.1 112.14 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -45.09 95.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.135 0.897 . . . . 0.0 112.578 -158.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m 148.13 -53.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 125.671 1.857 . . . . 0.0 109.288 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.46 139.12 33.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.605 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -104.02 118.89 37.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.804 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.3 t -110.64 133.95 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 O-C-N 122.271 -0.268 . . . . 0.0 110.411 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 132.77 9.3 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.009 -1.237 . . . . 0.0 110.009 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.485 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.3 m -132.87 136.75 46.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.894 0.347 . . . . 0.0 111.103 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -106.96 126.29 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.615 HD11 ' ND2' ' A' ' 25' ' ' ASN . 18.1 tt -128.06 135.06 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.058 0.456 . . . . 0.0 111.083 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.04 147.06 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.815 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.72 -177.96 32.29 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.13 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.535 HG12 HD23 ' A' ' 123' ' ' LEU . 34.8 m -133.85 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 162.11 26.75 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.818 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -129.9 143.23 50.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.525 -0.337 . . . . 0.0 110.242 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.406 ' HD3' HG23 ' A' ' 4' ' ' THR . 27.5 mmt85 -94.7 139.32 31.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.16 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.598 178.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.539 HG21 ' HD2' ' A' ' 147' ' ' ARG . 35.9 m . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.26 145.38 49.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.403 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -130.06 133.27 46.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -123.24 132.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.767 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.0 p -136.16 161.68 35.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.026 0.441 . . . . 0.0 110.593 -177.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 150.85 23.06 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.8 170.15 34.15 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.231 -176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -120.54 143.95 48.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.2 150.61 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.09 140.12 50.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.538 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.0 p -124.28 145.71 49.22 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.138 -174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -128.07 139.06 52.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.098 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -108.03 107.91 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 110.466 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -73.24 121.88 21.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.915 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.94 -14.62 64.78 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.84 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -116.59 154.69 30.03 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 117.706 0.753 . . . . 0.0 109.755 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.4 mtm -101.99 97.86 8.14 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.858 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 48.7 p-10 -175.23 151.38 1.27 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.286 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -135.12 137.56 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.457 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -128.85 149.66 50.66 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.297 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.52 131.46 6.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -147.04 168.36 28.24 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.264 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -120.98 152.51 38.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -136.07 141.86 44.28 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.193 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.7 mt -128.66 135.91 49.93 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CD ' HD11 ' A' ' 40' ' ' ILE . 50.4 pttt -146.07 158.02 43.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.371 0.605 . . . . 0.0 112.444 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -131.94 139.36 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.619 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -125.08 140.08 53.21 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.322 0.389 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -123.33 140.79 52.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -131.98 148.13 52.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.139 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -89.3 142.04 28.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.33 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -67.47 -45.05 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -104.13 -13.32 16.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 p -147.21 73.02 12.05 Favored Pre-proline 0 C--O 1.235 0.303 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -68.51 134.5 30.92 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 120.873 1.048 . . . . 0.0 113.228 -169.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.25 135.08 51.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.726 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.99 116.83 5.34 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.42 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -127.87 130.65 70.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 ' CD ' ' A' ' 27' ' ' LYS . 10.0 tt -135.71 140.38 44.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.96 131.35 8.42 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m -127.87 137.2 52.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.538 0.209 . . . . 0.0 111.114 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HD1' ' HH ' ' A' ' 63' ' ' TYR . 96.2 m-85 -119.18 127.23 53.11 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 176.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 m -124.06 140.88 52.55 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.89 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -131.58 130.15 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.654 HG22 ' HA3' ' A' ' 23' ' ' GLY . 66.0 p -122.23 148.95 44.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.754 -179.844 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.03 144.45 32.28 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.32 0.388 . . . . 0.0 111.02 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HH ' ' HD1' ' A' ' 43' ' ' PHE . 64.3 t80 -136.12 140.18 43.5 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.5 137.16 8.54 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.047 -174.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.05 130.14 71.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.05 159.96 41.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.213 0.53 . . . . 0.0 111.774 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.97 149.93 31.1 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.11 142.25 9.51 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.087 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.45 163.19 34.82 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.802 1.668 . . . . 0.0 111.582 166.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.726 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -133.69 155.13 50.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 C--O 1.233 0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.992 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -124.95 151.67 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.68 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 22.8 m-85 -135.48 149.3 49.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.86 145.39 17.37 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.439 HG12 ' HA3' ' A' ' 68' ' ' GLY . 32.9 m -137.85 152.01 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 112.146 -169.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG22 ' HD1' ' A' ' 109' ' ' TYR . 60.5 t -131.52 153.65 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.03 -178.56 40.52 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.796 -1.192 . . . . 0.0 112.122 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -134.55 139.55 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.11 145.53 16.69 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -128.05 147.01 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.113 -178.273 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.973 0.416 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -95.98 135.23 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.528 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.13 154.4 36.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 111.896 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 168.48 25.76 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.273 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 83' ' ' VAL . 76.7 t80 -109.67 138.65 45.73 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.7 p -130.74 145.99 52.09 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.653 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.581 ' HD1' HG22 ' A' ' 83' ' ' VAL . 93.8 t80 -146.46 151.2 37.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.736 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.34 -178.68 43.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.984 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.21 158.53 43.98 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.42 165.26 29.94 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.4 mt -128.9 149.96 50.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -116.67 137.26 52.32 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.183 0.302 . . . . 0.0 110.542 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.434 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.78 149.83 36.33 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.61 138.29 50.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.885 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.75 137.15 52.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -136.31 141.66 43.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.5 m -143.06 154.65 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.387 . . . . 0.0 111.024 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.82 117.9 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -114.24 134.34 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.25 133.43 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.596 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m -126.23 137.83 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.27 130.07 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.202 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 85.4 mt -127.25 110.03 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 168.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -45.15 95.14 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.227 0.954 . . . . 0.0 112.657 -158.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.0 m 150.52 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 125.389 1.681 . . . . 0.0 109.016 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 p -109.45 137.26 42.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.309 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.16 119.35 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.945 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.2 132.41 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.36 -177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 132.95 9.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.47 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -133.45 139.19 46.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -106.06 131.69 53.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.601 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 10' ' ' ALA . 70.2 mt -121.04 131.31 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.769 0.318 . . . . 0.0 110.54 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.6 139.19 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.962 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.63 -177.95 35.14 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.522 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.47 155.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.767 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.06 157.02 25.84 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.695 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -131.67 142.43 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.539 ' HD2' HG21 ' A' ' 2' ' ' THR . 24.8 ttp-105 -119.9 137.76 53.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.596 179.729 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.704 0.287 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.15 147.93 52.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.352 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -130.91 133.22 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.88 128.0 68.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -136.11 146.47 47.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.329 0.393 . . . . 0.0 110.77 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.68 150.79 22.54 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 174.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.8 170.03 33.59 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.906 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -121.46 144.1 48.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.066 -0.567 . . . . 0.0 109.762 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 147.43 41.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.061 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.42 140.05 53.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -121.2 138.48 54.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.94 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -115.89 139.05 50.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.286 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.34 107.95 19.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.362 0.601 . . . . 0.0 110.156 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -82.87 121.92 27.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.007 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.24 -14.6 57.2 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.738 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.637 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.42 144.85 43.77 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.598 0.699 . . . . 0.0 109.622 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.2 mtt -90.93 97.82 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.066 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -176.85 147.3 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -134.91 146.7 49.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.931 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 93.5 mmm -131.79 147.5 52.49 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.08 -176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.97 131.59 6.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.9 168.26 29.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.465 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -130.09 156.4 44.59 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' HD11 ' A' ' 141' ' ' ILE . 16.7 p30 -144.02 150.19 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.374 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -126.65 138.92 53.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.552 177.097 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.93 141.07 51.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.98 139.09 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.559 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HG2' HG22 ' A' ' 40' ' ' ILE . 76.9 mtp180 -134.78 140.28 45.77 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.911 0.386 . . . . 0.0 111.795 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -124.08 136.51 54.29 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.56 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -134.06 148.14 51.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.031 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -100.39 144.48 29.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.289 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -67.6 -45.12 76.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -100.76 -13.23 18.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -147.1 74.89 11.84 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.48 134.59 33.66 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 120.867 1.045 . . . . 0.0 112.9 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -126.22 132.32 51.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 172.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.759 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.79 116.84 5.21 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.84 130.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.764 HD11 HG12 ' A' ' 82' ' ' VAL . 2.6 pp -125.74 131.99 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.975 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.83 129.71 7.37 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 171.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -128.26 137.1 51.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 111.26 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.9 125.41 54.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.5 m -118.57 135.43 54.43 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.763 -175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -123.49 123.53 40.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 p -123.22 142.65 50.7 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.466 0.479 . . . . 0.0 110.241 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.18 -178.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.459 0.171 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.02 136.69 48.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -124.11 139.95 53.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.38 130.8 6.14 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.64 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.27 127.97 73.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -140.05 159.98 40.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.154 0.502 . . . . 0.0 111.853 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.01 150.36 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.187 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.3 139.72 7.23 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.681 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.35 163.08 35.25 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 CA-C-N 119.847 1.823 . . . . 0.0 111.223 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.759 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -140.57 149.83 42.89 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.599 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.069 -178.522 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -128.26 151.88 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -144.3 159.02 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.97 145.7 17.67 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.764 HG12 HD11 ' A' ' 40' ' ' ILE . 33.2 m -134.75 148.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 117.253 0.526 . . . . 0.0 111.735 -170.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 109' ' ' TYR . 33.5 m -134.7 153.84 35.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 170.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.07 -179.8 40.81 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.006 -1.092 . . . . 0.0 112.197 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 87' ' ' TYR . 44.5 t -127.46 138.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.05 133.64 10.03 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.403 ' CZ ' HG11 ' A' ' 85' ' ' VAL . 93.3 m-85 -122.57 138.11 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 -177.404 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.664 0.268 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -102.03 143.4 31.93 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -136.09 154.96 50.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 111.666 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.47 170.96 29.67 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.06 144.56 42.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.365 0.082 . . . . 0.0 110.799 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -128.43 142.63 51.04 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.249 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.574 ' CD2' HG12 ' A' ' 83' ' ' VAL . 80.6 m-85 -136.53 145.59 45.23 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.471 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.62 179.87 42.39 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.329 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.58 157.11 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.52 159.23 27.96 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.887 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.3 mp -123.78 146.41 48.35 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -109.93 131.7 54.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.526 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.332 -0.167 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.373 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.231 0.088 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.01 152.24 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.24 145.51 46.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -122.09 126.98 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -116.95 126.14 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.839 0.712 . . . . 0.0 109.454 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.8 t -143.08 148.07 36.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.0 111.395 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -115.98 122.3 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.625 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -117.85 138.06 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.177 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -125.56 138.69 53.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.2 m -130.42 145.91 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -116.32 120.56 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.489 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.4 94.74 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 15.5 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.985 1.314 . . . . 0.0 114.414 -165.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.7 t 74.04 -8.81 1.36 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -104.68 134.32 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 118.538 0.608 . . . . 0.0 109.461 177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -103.34 123.3 46.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.598 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.97 133.07 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 132.02 8.94 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.478 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 31.0 m -126.43 136.18 52.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.066 0.46 . . . . 0.0 111.287 -176.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -107.34 121.89 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.527 HD11 ' ND2' ' A' ' 25' ' ' ASN . 18.9 tt -127.27 137.19 58.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.084 0.468 . . . . 0.0 111.405 -173.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 139.09 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.831 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.48 169.75 26.97 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.251 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.9 t -137.44 144.99 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.62 168.21 27.42 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.685 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -134.09 143.15 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.553 0.216 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -103.51 141.54 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.752 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.557 179.255 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -128.49 151.51 49.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.222 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.492 HG21 HH21 ' A' ' 29' ' ' ARG . 34.2 m -130.34 133.19 46.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.475 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.71 128.43 71.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.725 HG22 ' HA3' ' A' ' 145' ' ' GLY . 30.1 p -131.39 158.53 40.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 0.0 110.796 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 150.8 23.06 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 171.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.38 170.06 33.37 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.112 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.86 143.91 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.15 144.43 38.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -123.09 140.04 53.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -122.35 141.41 51.59 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.007 -174.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -107.46 136.95 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.66 107.93 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.171 0.51 . . . . 0.0 110.677 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -79.27 121.98 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.496 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.65 -14.51 64.75 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.695 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -116.44 146.05 42.82 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.774 0.787 . . . . 0.0 109.48 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.4 mtt -86.56 160.48 18.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 66.93 135.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.812 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -85.16 162.17 19.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.2 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mtp -115.96 150.1 37.71 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.446 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.72 138.15 9.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.735 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -151.81 168.16 31.12 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.273 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.97 150.25 41.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -133.66 137.65 45.48 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.144 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' THR . 14.2 tp -124.18 135.88 53.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 40' ' ' ILE . 36.3 mtmm -130.58 142.6 50.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.697 -174.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.064 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.492 HH21 HG21 ' A' ' 4' ' ' THR . 71.0 mtm180 -130.36 140.11 50.63 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.767 0.318 . . . . 0.0 111.217 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -127.21 142.01 51.59 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.99 146.13 52.28 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.11 146.53 24.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.149 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -71.38 -45.16 63.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -104.19 -13.31 16.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -147.26 75.57 11.46 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.06 134.4 19.47 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.716 0.944 . . . . 0.0 113.294 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -126.15 135.28 51.47 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.84 116.66 5.17 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -174.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -124.01 130.82 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.594 HD11 ' HD2' ' A' ' 27' ' ' LYS . 12.8 tt -126.61 132.12 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.803 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.93 129.94 8.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 m -125.46 137.14 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.966 0.412 . . . . 0.0 111.219 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -113.58 122.84 48.43 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 t -119.74 135.8 54.7 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.635 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -129.97 124.63 33.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.391 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.735 HG22 ' HA3' ' A' ' 23' ' ' GLY . 64.3 p -129.27 154.73 46.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.318 177.69 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.47 0.176 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 131.03 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.895 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.79 150.39 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 137.25 8.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -174.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.94 125.84 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HA3' ' A' ' 84' ' ' GLY . 75.4 p -130.81 160.0 35.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.147 0.499 . . . . 0.0 111.445 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.59 146.32 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.255 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.596 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.66 138.41 6.65 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.659 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.29 163.11 35.31 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 CA-C-N 119.888 1.844 . . . . 0.0 111.465 167.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.701 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -125.66 154.19 42.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.54 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.042 -177.713 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.2 pt -125.54 151.92 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.419 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -146.63 159.09 43.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.895 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.96 145.68 17.65 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.91 151.14 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 111.413 -171.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.612 HG22 ' HD2' ' A' ' 109' ' ' TYR . 40.7 t -131.3 153.67 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -164.96 178.67 39.96 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.328 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.12 138.33 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -119.62 140.74 15.05 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -122.74 133.17 54.49 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 175.711 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.764 0.316 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.89 123.97 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -113.09 138.38 50.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.715 0.293 . . . . 0.0 111.034 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.07 160.17 25.74 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.11 143.65 43.99 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.3 t -131.11 139.42 49.84 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.612 ' HD2' HG22 ' A' ' 83' ' ' VAL . 58.9 m-85 -137.35 142.86 41.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.43 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.96 -177.87 41.14 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.21 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.54 159.05 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.34 158.46 27.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.465 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.48 136.81 53.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.469 HE21 ' HB1' ' A' ' 122' ' ' ALA . 61.3 tp60 -109.84 129.26 55.66 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.316 0.385 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--N 1.331 -0.209 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.454 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.784 0.326 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.618 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -140.77 151.69 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.143 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -121.92 143.28 49.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.45 127.12 43.55 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.402 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.77 133.04 54.92 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.2 t -143.07 143.54 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 111.338 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -115.22 123.27 48.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.443 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.29 138.13 54.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.345 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -116.77 139.97 49.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.8 t -132.8 141.0 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.388 . . . . 0.0 111.047 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -113.49 117.83 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.292 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.42 94.91 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 15.24 95.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -165.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 p 73.45 -7.53 1.53 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.94 133.54 47.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 118.552 0.615 . . . . 0.0 109.585 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -104.05 121.23 42.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.665 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.14 133.12 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.659 0.266 . . . . 0.0 110.378 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 127.45 6.97 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -123.21 134.98 54.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -114.29 121.92 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.2 tt -126.44 138.44 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.051 0.453 . . . . 0.0 111.03 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.96 140.8 34.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.744 175.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.42 175.48 30.26 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.911 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.97 149.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.725 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -151.19 177.43 29.17 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.717 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -135.04 143.24 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.375 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -106.74 140.15 40.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.858 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.694 0.283 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.19 146.0 48.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.147 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.0 p -130.4 133.37 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.055 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.62 132.48 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.758 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.8 p -136.32 165.45 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.704 -176.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 26' ' ' LEU . . . -152.51 150.73 22.59 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 171.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.13 170.02 34.86 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.842 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -128.73 144.23 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.213 -0.493 . . . . 0.0 109.938 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.28 147.2 41.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -115.2 140.06 49.41 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 m -120.6 139.56 52.79 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.25 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.19 125.26 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.92 107.85 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.344 0.593 . . . . 0.0 110.117 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -85.01 121.93 28.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.42 -14.32 60.92 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.708 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -116.23 174.08 6.25 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 117.715 0.758 . . . . 0.0 110.118 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -94.57 153.66 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.437 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.282 0.989 . . . . 0.0 113.13 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -108.82 162.13 14.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.849 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mtm -117.97 159.4 23.23 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.79 141.49 11.99 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.22 168.05 32.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.923 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.19 155.11 45.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -143.97 150.19 37.93 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.789 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA2' ' A' ' 7' ' ' GLY . 74.6 mt -123.78 140.5 52.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.402 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -120.92 142.38 49.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.2 0.524 . . . . 0.0 111.474 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -121.98 139.12 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.603 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -129.98 140.24 50.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -122.73 134.73 54.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.269 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -126.93 146.18 50.4 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.798 0.333 . . . . 0.0 111.115 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.62 140.45 32.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.32 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -67.59 -44.86 77.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.27 -13.27 17.44 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -147.15 73.88 11.96 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -59.89 134.51 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.907 1.071 . . . . 0.0 112.896 -170.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.3 135.2 51.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.271 172.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.85 5.21 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.98 130.76 74.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.43 130.83 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.81 129.88 6.74 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -128.06 137.1 52.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.259 -175.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -114.32 122.63 47.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.2 m -121.81 137.69 54.67 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -123.81 129.94 51.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.343 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 71.6 p -128.05 153.6 46.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.422 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.776 179.096 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 N--CA 1.461 0.108 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -141.81 138.25 32.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.289 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -135.98 151.32 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.96 137.31 6.84 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.49 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.02 140.19 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.509 HG22 ' HA3' ' A' ' 84' ' ' GLY . 81.1 p -133.43 161.12 35.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.098 0.475 . . . . 0.0 111.508 -176.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.07 144.98 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.084 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 159.64 31.36 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 119.614 -1.279 . . . . 0.0 114.122 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.31 163.15 35.19 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.231 1.954 . . . . 0.0 113.016 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -148.16 154.99 40.88 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.466 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.333 -0.139 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.376 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.23 0.063 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.9 tt -137.68 151.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.348 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -147.08 154.87 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.973 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.28 145.66 16.95 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.14 157.27 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 117.223 0.511 . . . . 0.0 111.608 -173.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 109' ' ' TYR . 41.1 t -129.98 153.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 172.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.56 179.53 38.57 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.28 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.27 143.51 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.11 153.69 20.85 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -128.05 145.49 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.805 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.93 128.16 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -128.65 155.73 44.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.077 0.465 . . . . 0.0 111.515 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.07 169.54 30.12 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -113.13 147.09 38.05 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -134.17 141.04 46.93 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.102 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.643 ' HD1' HG22 ' A' ' 83' ' ' VAL . 43.6 m-85 -135.45 144.48 46.47 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -169.04 175.55 43.41 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 119.88 -1.153 . . . . 0.0 112.565 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.95 157.36 43.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.07 164.84 28.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.507 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.5 mp -122.05 144.09 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -114.34 129.59 56.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.302 0.376 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.184 179.668 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.62 152.71 51.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.6 142.57 46.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -127.37 127.22 43.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.516 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -122.91 131.93 53.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.576 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.2 t -143.02 147.61 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.96 0.41 . . . . 0.0 111.423 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.531 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -114.54 136.5 52.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -175.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -122.52 130.0 52.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -131.49 143.74 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -117.52 119.97 36.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.253 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.0 mt -127.4 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 14.88 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -164.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 p 74.4 -9.14 1.34 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.15 134.02 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 CA-C-N 118.569 0.622 . . . . 0.0 109.583 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.0 129.83 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 122.28 5.14 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -123.78 134.62 53.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.017 0.437 . . . . 0.0 111.553 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -110.59 127.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 13.8 tt -130.14 141.54 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.454 . . . . 0.0 111.527 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.76 145.06 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.9 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.95 30.63 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.951 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -128.49 154.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.758 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.01 151.33 22.43 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.9 143.04 50.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -117.28 144.91 44.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.308 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -126.87 142.0 51.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.216 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m -130.52 133.16 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.06 128.83 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.65 HG23 ' C ' ' A' ' 144' ' ' VAL . 8.7 m -133.27 145.99 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.379 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.67 150.85 20.0 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.83 170.04 34.7 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.145 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -131.13 144.1 51.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.952 -0.624 . . . . 0.0 109.966 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.2 149.35 44.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -116.68 140.08 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -122.47 138.45 54.55 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.95 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -115.51 127.01 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -111.09 107.89 17.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.313 0.578 . . . . 0.0 110.242 -174.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -70.36 122.0 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.414 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.93 -14.37 60.16 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 124.209 0.943 . . . . 0.0 112.703 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 99.1 mm-40 -116.42 162.05 18.15 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 117.811 0.805 . . . . 0.0 110.145 173.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.8 mtt -102.06 162.75 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 111.183 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 68.59 133.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.999 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -79.97 154.39 28.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.022 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -119.3 153.92 34.31 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.24 136.11 8.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 164.21 28.2 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.893 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.535 ' ND2' HD11 ' A' ' 141' ' ' ILE . 40.0 p-10 -141.82 150.09 41.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.93 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.88 142.12 51.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.731 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -127.04 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.176 0.512 . . . . 0.0 111.817 -169.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.08 139.11 54.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -132.31 140.11 48.45 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.239 0.337 . . . . 0.0 111.048 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -125.13 141.98 51.78 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.474 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -122.6 145.12 48.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.948 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -100.72 141.89 32.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.213 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.96 -45.29 51.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -104.01 -13.33 16.35 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.6 m -147.16 80.92 9.13 Favored Pre-proline 0 C--O 1.234 0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -59.94 134.21 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.723 0.948 . . . . 0.0 112.531 -168.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -126.4 135.24 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.654 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -95.82 116.73 5.48 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.2 130.8 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -126.72 130.94 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.18 129.9 6.67 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 p -128.27 137.21 51.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 111.248 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -107.01 123.58 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -117.35 135.2 54.03 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.043 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.07 124.5 44.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -122.46 141.64 51.41 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.322 0.389 . . . . 0.0 110.45 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.381 -176.242 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -124.67 137.34 54.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 111.268 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -127.25 133.95 50.14 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.42 137.16 9.31 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.112 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -115.95 128.22 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -134.99 161.11 36.21 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.956 0.408 . . . . 0.0 111.299 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.95 147.47 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.417 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.93 134.43 4.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.644 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.36 163.19 35.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 CA-C-N 120.182 1.991 . . . . 0.0 111.99 168.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.5 155.0 49.37 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -176.666 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.0 mt -125.2 151.8 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.12 159.04 44.34 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.177 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.83 145.7 17.64 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -137.56 146.0 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.776 -170.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.44 154.12 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.08 -172.93 37.77 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.848 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -133.76 142.88 40.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.01 140.41 12.35 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -119.39 137.15 53.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.873 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.697 0.284 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.94 123.32 39.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -121.88 144.78 48.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.979 0.418 . . . . 0.0 111.342 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.22 160.77 25.94 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -113.0 137.84 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.5 m -130.35 144.64 51.51 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.891 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -151.19 159.99 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.45 46.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.37 159.29 42.45 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.88 163.96 28.85 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.841 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -127.55 147.95 50.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.349 -0.426 . . . . 0.0 109.978 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.93 130.53 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.252 0.345 . . . . 0.0 110.148 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.781 -177.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 146' ' ' TYR . 35.6 m . . . . . 0 C--O 1.231 0.123 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.99 143.27 45.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.365 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.6 mm? -112.25 137.13 50.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -121.24 126.89 50.71 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.039 -0.265 . . . . 0.0 110.287 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -122.93 132.66 54.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.4 t -143.07 148.81 37.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 111.371 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -110.82 118.69 36.82 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.37 134.8 55.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 111.385 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.39 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.447 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -131.32 137.53 48.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.663 0.268 . . . . 0.0 110.323 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -119.36 128.73 54.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.776 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.27 106.14 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -43.8 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.261 0.976 . . . . 0.0 113.352 -158.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 p 149.7 -51.87 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 112.905 -1.952 . . . . 0.0 109.179 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.9 t -109.36 135.13 49.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -171.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -104.19 119.93 40.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.92 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.7 t -114.63 133.25 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.499 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.99 130.89 8.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.497 HG22 ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.03 135.87 50.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.437 . . . . 0.0 111.419 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -108.44 123.2 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.535 HD11 ' ND2' ' A' ' 25' ' ' ASN . 16.6 tt -128.56 137.64 56.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.141 -175.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.96 172.42 30.61 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.033 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.65 ' C ' HG23 ' A' ' 6' ' ' THR . 44.6 t -134.46 144.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 161.44 26.75 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.905 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 121' ' ' VAL . 82.5 m-85 -126.35 143.12 51.28 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -112.38 140.47 47.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.001 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.567 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.3 p -122.77 141.21 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -127.58 142.54 51.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.167 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.3 m -129.68 133.16 46.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.529 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -116.72 129.03 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 m -135.92 145.99 46.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.443 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.57 150.85 20.66 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.48 170.08 32.86 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.082 -1.056 . . . . 0.0 112.457 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -125.43 144.04 50.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.887 -0.656 . . . . 0.0 109.6 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.19 148.45 43.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.187 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -121.51 140.18 52.54 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -122.26 143.76 49.4 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.987 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.09 139.02 54.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.226 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -106.93 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.263 0.554 . . . . 0.0 110.301 -175.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.5 121.83 23.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.029 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.75 -14.65 64.82 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.715 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -116.58 154.08 31.1 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 117.695 0.748 . . . . 0.0 109.543 170.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -102.11 97.88 8.13 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.667 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 37.6 p-10 -178.76 153.61 0.68 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.956 0.407 . . . . 0.0 111.04 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -131.94 146.49 52.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.1 mtp -134.84 156.35 49.05 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.101 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.58 138.31 10.05 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.69 168.14 29.86 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.089 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -126.45 155.59 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' HG22 ' A' ' 44' ' ' THR . 23.9 p30 -135.48 146.71 48.43 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.282 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.2 tp -122.83 136.03 54.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.189 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -123.76 140.59 52.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.101 0.477 . . . . 0.0 111.678 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -122.12 139.02 54.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.544 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -127.9 140.14 52.18 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.961 0.41 . . . . 0.0 111.42 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -129.85 138.65 51.09 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.448 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.33 148.1 51.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.071 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.28 141.68 28.29 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.393 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -67.13 -44.22 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.54 -13.32 17.24 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.234 0.278 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.84 134.5 50.54 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.001 1.134 . . . . 0.0 112.915 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.18 135.2 51.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.175 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.88 116.76 5.21 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -174.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.91 130.82 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.3 mt -125.44 130.96 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.247 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.77 8.37 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -128.18 137.09 51.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.356 -175.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.26 127.61 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 25' ' ' ASN . 72.2 p -115.1 135.23 54.43 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.683 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -125.31 120.99 32.7 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.859 0.724 . . . . 0.0 109.056 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.727 HG22 ' HA3' ' A' ' 23' ' ' GLY . 22.7 p -126.78 150.28 49.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.474 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -132.28 149.44 52.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.746 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -86.83 138.04 31.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.496 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -87.92 146.46 25.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.474 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -106.6 144.28 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.8 m -119.16 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.095 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.53 123.94 32.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.939 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -179.61 -73.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -63.27 -37.22 86.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.624 0.25 . . . . 0.0 111.151 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.44 -7.02 61.48 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.22 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -82.57 144.49 30.32 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 117.98 0.89 . . . . 0.0 110.435 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.17 138.13 54.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -134.52 135.68 42.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.97 116.42 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.403 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -128.07 125.39 39.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.291 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -128.56 143.99 51.07 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -135.38 133.57 38.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.5 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.57 139.18 53.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.23 137.02 8.48 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.025 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.34 129.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -140.05 159.56 41.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.974 0.416 . . . . 0.0 111.96 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.3 151.09 33.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.714 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.595 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.62 139.45 7.0 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 120.239 -0.981 . . . . 0.0 113.018 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -75.43 163.16 34.89 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 119.775 1.788 . . . . 0.0 111.958 168.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -138.98 146.69 41.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.16 130.15 52.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.355 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -114.06 128.3 56.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.671 0.272 . . . . 0.0 110.436 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 73' ' ' ILE . 2.7 pp -128.75 148.62 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 47.95 27.36 1.16 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.502 177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.76 28.81 0.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -98.67 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.97 161.47 37.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.37 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.7 t -123.51 146.72 47.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.228 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 113' ' ' LEU . 14.0 tt -129.57 151.76 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -146.89 159.08 43.98 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.881 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.95 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.595 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.44 151.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 111.328 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.3 153.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.96 38.99 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.853 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.1 t -129.45 139.45 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.21 147.23 18.07 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -128.0 143.67 51.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.6 141.13 12.29 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.86 141.02 49.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.58 0.228 . . . . 0.0 110.762 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -135.09 156.3 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.231 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.46 145.52 6.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.0 m -112.92 142.29 45.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.366 0.603 . . . . 0.0 111.747 -172.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 48.0 m -111.73 156.29 22.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.933 175.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -77.66 104.75 8.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.527 0.68 . . . . 0.0 110.268 -174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -115.3 147.67 39.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.035 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.57 155.19 22.18 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.04 1.16 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.1 m -79.79 128.1 33.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.406 0.622 . . . . 0.0 111.56 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -147.89 155.92 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.498 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -71.96 122.3 20.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.065 0.46 . . . . 0.0 110.829 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -174.46 160.37 3.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.423 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.18 136.26 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.675 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.2 p -68.79 -34.65 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.465 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.4 p -127.64 161.61 28.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.676 0.274 . . . . 0.0 110.341 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -99.4 143.04 30.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.178 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -136.03 156.94 47.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.048 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -155.12 173.27 33.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.19 141.98 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 m -131.4 147.07 52.53 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.864 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -151.75 161.91 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.52 -176.65 48.14 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.419 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.58 156.11 46.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.586 0.231 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.68 27.12 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.524 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 79' ' ' ILE . 74.9 mt -123.06 151.22 42.18 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.88 131.68 54.84 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -123.04 154.49 38.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.332 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 58.79 70.95 1.05 Allowed Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.047 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -86.54 34.8 0.46 Allowed 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.748 1.632 . . . . 0.0 112.518 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.2 mtt -121.21 161.87 21.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 57.05 -171.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.419 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' OD1' HG23 ' A' ' 121' ' ' VAL . 43.6 p-10 -86.82 11.96 12.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.422 HG23 ' OD1' ' A' ' 120' ' ' ASN . 41.6 t -123.17 130.85 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 118.228 0.467 . . . . 0.0 110.809 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -141.32 152.87 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.45 143.97 44.07 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.475 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -125.28 126.96 45.94 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -129.31 130.94 46.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.6 p -143.06 157.08 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 111.532 -176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.47 130.03 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.458 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.15 135.84 54.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.204 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -134.7 139.77 45.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.9 p -142.3 148.21 37.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.025 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -115.7 125.95 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.803 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 15.66 95.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -165.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.9 t 75.19 -10.36 1.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.32 134.17 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 118.589 0.631 . . . . 0.0 109.443 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -104.1 128.11 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.628 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.96 134.86 62.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 128.25 7.32 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 34.6 m -131.73 136.67 47.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -108.4 130.98 55.21 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -119.89 128.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.99 141.54 36.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.769 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.1 -177.98 33.68 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.944 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.3 p -136.27 144.97 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.23 169.24 26.38 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.468 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.01 143.23 42.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -115.57 138.77 50.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.408 . . . . 0.0 110.655 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.574 179.535 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m -122.3 139.88 53.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.305 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -132.23 145.92 51.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.344 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.9 m -124.93 133.13 53.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.1 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -123.8 130.26 74.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.793 HG22 ' HA3' ' A' ' 145' ' ' GLY . 10.5 p -131.41 161.1 33.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 110.275 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.29 150.82 22.9 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 170.05 32.73 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.394 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.73 144.19 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.494 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' ' 141' ' ' ILE . . . -139.13 146.05 40.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.914 0.388 . . . . 0.0 111.435 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -121.1 140.06 52.48 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -122.53 137.99 54.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.185 -174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -112.78 138.97 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -124.03 108.8 12.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.276 0.56 . . . . 0.0 110.733 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -72.8 122.15 21.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.314 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.28 -14.33 61.11 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.602 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 58.8 tt0 -116.27 156.48 26.54 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 117.718 0.759 . . . . 0.0 109.35 173.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -85.01 165.44 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.285 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 47.61 -174.95 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.06 175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -129.45 162.22 28.61 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.607 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.0 mtm -121.37 164.01 17.76 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.446 -173.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.88 142.66 14.01 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.04 168.08 31.25 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.989 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -128.7 154.99 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.72 138.86 48.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.446 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.07 136.0 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 123.602 0.564 . . . . 0.0 109.514 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 40' ' ' ILE . 92.3 mttt -122.97 147.44 46.62 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.227 0.537 . . . . 0.0 111.877 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -127.49 137.72 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.437 172.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -136.22 140.17 43.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -125.05 136.3 53.55 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.443 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.95 148.18 49.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 111.143 -178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -98.42 145.5 26.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.316 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.3 -45.07 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.0 -13.14 16.43 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 m -147.18 73.6 11.98 Favored Pre-proline 0 C--O 1.235 0.331 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.89 134.66 22.05 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 120.966 1.111 . . . . 0.0 113.304 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 tp -126.13 135.18 51.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.708 -1.133 . . . . 0.0 107.978 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 117.24 5.32 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -171.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.79 130.68 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 27' ' ' LYS . 16.8 tt -125.66 130.95 72.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.86 129.93 7.23 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.4 m -127.66 137.11 52.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.01 0.433 . . . . 0.0 111.347 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CE1' HD13 ' A' ' 65' ' ' ILE . 94.7 m-85 -112.63 126.45 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 t -122.38 137.2 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.761 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -125.65 125.55 43.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.604 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -120.68 140.62 51.35 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.751 0.657 . . . . 0.0 109.866 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -141.2 149.75 41.82 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.224 0.328 . . . . 0.0 110.536 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -136.3 129.91 32.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -120.02 138.82 53.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.422 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -137.12 145.07 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.169 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -125.78 141.85 51.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.935 0.397 . . . . 0.0 110.307 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.21 155.41 46.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.186 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -57.7 -40.74 80.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.439 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.6 p -66.59 -30.75 71.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.684 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.49 0.42 58.03 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 121.292 -0.48 . . . . 0.0 113.347 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -85.63 118.12 24.94 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.07 0.935 . . . . 0.0 110.583 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.86 152.07 48.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.83 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -105.37 116.58 32.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -93.06 122.72 35.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -127.98 138.59 52.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -129.82 143.78 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.299 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -129.57 138.55 51.36 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.314 0.383 . . . . 0.0 111.06 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -127.72 138.2 52.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.01 136.56 8.51 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.775 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.484 HD13 ' CE1' ' A' ' 43' ' ' PHE . 7.7 tp -116.46 129.76 72.38 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.7 p -129.67 158.95 37.93 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.19 149.7 26.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.863 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.35 159.57 28.69 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 119.489 -1.339 . . . . 0.0 114.572 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.41 163.45 34.41 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.762 2.308 . . . . 0.0 113.641 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.783 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -134.27 155.04 50.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -122.14 130.22 53.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.519 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.85 130.01 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm -121.41 117.12 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 m120 52.67 32.45 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.744 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.4 t0 43.64 26.15 0.11 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -100.39 -57.28 2.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -136.71 156.72 48.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.202 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.3 t -124.01 144.03 50.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.5 mt -125.01 151.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.25 156.75 43.6 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.33 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -136.73 145.62 17.49 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.12 157.74 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 0.0 111.675 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.17 154.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.39 -176.88 37.32 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.374 -177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.38 138.76 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.31 139.48 11.08 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -128.11 147.0 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 110.456 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.4 144.35 15.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -131.28 141.08 49.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.396 -0.402 . . . . 0.0 109.979 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -124.38 156.12 37.63 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.289 0.368 . . . . 0.0 110.578 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -91.54 121.54 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.408 . . . . 0.0 110.858 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 94' ' ' GLU . 9.3 t -145.08 171.02 15.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.479 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 77.4 p -98.93 125.93 44.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' HG2' HG23 ' A' ' 92' ' ' THR . 77.2 mm-40 -149.15 149.54 31.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 -173.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -80.51 147.33 63.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.51 134.48 64.19 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.716 0.944 . . . . 0.0 112.137 -163.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.0 t -118.49 157.46 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.05 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -96.65 126.96 42.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -76.96 142.75 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.231 0.538 . . . . 0.0 112.035 -170.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -167.54 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.01 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -145.39 33.41 1.07 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.213 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -66.29 -37.59 85.79 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.45 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.1 p -78.34 160.26 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.765 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.26 142.05 34.85 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -135.99 159.65 41.03 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.094 0.473 . . . . 0.0 111.81 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.99 175.5 30.7 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.16 142.46 45.75 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.1 p -134.15 151.12 51.2 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.914 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -156.16 160.13 39.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 -176.81 48.21 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.436 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.78 159.05 43.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.621 0.248 . . . . 0.0 110.715 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.32 162.42 28.42 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.4 mp -122.14 145.94 47.7 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -115.39 133.69 55.8 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.388 0.43 . . . . 0.0 110.568 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -122.91 147.85 46.12 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.62 85.53 38.65 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.514 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.01 -70.79 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.379 1.386 . . . . 0.0 112.479 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.2 mmm -79.33 -72.62 0.38 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.782 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -175.14 -68.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.672 0.273 . . . . 0.0 110.708 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -86.11 3.55 42.15 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.63 133.89 64.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.08 153.7 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.816 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 124' ' ' ASP . 3.6 tt -127.83 140.09 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.464 ' N ' HD23 ' A' ' 123' ' ' LEU . 22.8 t70 -131.04 137.97 49.41 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.487 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 123' ' ' LEU . 87.0 m-85 -123.41 135.76 54.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.226 174.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.1 t -143.05 142.63 31.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.173 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -109.18 120.62 43.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.738 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.52 138.16 54.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.694 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -127.58 146.5 50.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.791 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.6 m -135.46 148.05 49.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.037 -176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -117.84 120.86 39.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.388 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.38 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 15.6 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.905 1.282 . . . . 0.0 114.417 -165.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 m 75.33 -10.87 1.17 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 170.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -102.48 131.87 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 118.627 0.648 . . . . 0.0 109.534 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.12 124.68 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.774 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.8 t -119.45 133.08 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.04 126.47 6.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.444 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.65 138.5 52.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 111.063 -176.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.52 137.9 44.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.072 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 10' ' ' ALA . 42.2 mm -118.91 125.45 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -139.38 132.9 30.33 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -163.13 -177.95 36.51 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.96 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 158.34 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.793 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.98 156.78 25.68 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.989 -0.624 . . . . 0.0 111.808 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -127.72 143.18 51.16 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -101.88 137.61 39.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.603 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.377 179.423 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m -122.72 140.15 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.317 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -126.33 144.1 50.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.117 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.9 m -126.35 133.14 51.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.417 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.35 129.19 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.807 HG22 ' HA3' ' A' ' 145' ' ' GLY . 21.3 p -136.33 163.12 31.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.161 0.505 . . . . 0.0 110.964 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.35 150.83 22.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 172.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.29 170.02 33.86 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.759 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -128.69 144.2 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.405 -0.397 . . . . 0.0 110.292 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.23 147.64 42.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.99 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -117.07 140.16 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 m -120.03 137.59 54.01 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.098 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -103.04 124.84 49.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -106.53 107.77 18.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 110.249 -175.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -83.91 121.96 28.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.461 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.35 61.74 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.652 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 95.6 mt-30 -116.29 169.25 9.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.827 0.814 . . . . 0.0 110.107 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.7 ttm -102.06 146.74 27.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 69.61 145.36 0.05 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.923 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.11 162.12 18.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.234 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -122.41 161.43 23.5 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.06 141.23 12.14 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.92 168.0 29.39 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.596 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -128.57 150.92 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -132.21 144.21 50.48 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.167 0.292 . . . . 0.0 110.975 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -124.57 137.06 54.43 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -129.13 144.23 51.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.207 0.527 . . . . 0.0 111.734 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -121.99 139.07 54.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.99 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -129.99 140.26 50.92 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.514 0.509 . . . . 0.0 111.557 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -129.47 138.57 51.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.462 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -133.08 148.09 52.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -97.32 146.49 25.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.531 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -103.42 -13.25 16.71 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -147.08 74.4 11.94 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.5 134.55 26.66 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.808 1.005 . . . . 0.0 113.032 -170.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.16 135.24 51.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.038 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.87 116.81 5.22 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 -175.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.64 130.91 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.7 mt -123.93 130.81 73.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.462 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.74 129.82 7.63 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 t -128.12 137.05 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.945 0.402 . . . . 0.0 111.567 -173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -113.23 123.58 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -122.49 140.67 52.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.718 0.294 . . . . 0.0 111.265 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -129.24 130.38 46.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.504 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 m -130.78 142.04 50.38 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.224 0.327 . . . . 0.0 110.782 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -135.4 147.69 49.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.885 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -88.63 136.78 32.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 110.388 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.4 p -88.03 150.13 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.742 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -93.06 146.29 23.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.491 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.6 m -102.16 138.44 39.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.95 149.24 41.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 p 50.92 97.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.603 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -174.47 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.11 66.57 Favored Glycine 0 CA--C 1.535 1.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 113.33 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.52 118.48 31.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 117.964 0.882 . . . . 0.0 110.208 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -123.17 139.35 54.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 111.022 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -178.94 115.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.724 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -96.34 129.6 43.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 111.233 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -123.73 128.71 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.834 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -136.19 146.19 46.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.532 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -155.98 160.9 40.46 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.754 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.98 154.52 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.562 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.29 137.33 8.89 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.943 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 tt -116.13 126.65 73.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.635 HG22 ' HA3' ' A' ' 84' ' ' GLY . 74.8 p -131.28 161.97 31.11 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.148 0.499 . . . . 0.0 111.472 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.05 147.41 29.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.391 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.574 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.68 136.37 5.24 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.711 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.31 163.06 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 CA-C-N 120.039 1.919 . . . . 0.0 111.519 168.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 80' ' ' TYR . . . -145.89 147.81 32.17 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.926 178.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -122.31 130.19 52.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -101.29 109.84 21.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.8 tt -137.89 146.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.59 108.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.075 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 56.81 44.64 23.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.561 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.7 m95 47.55 23.68 0.42 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.15 140.43 29.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -124.03 146.5 48.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.969 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.2 mp -124.94 151.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.443 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 48.2 p90 -146.05 159.03 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.201 -177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.57 17.55 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.574 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -136.36 150.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.92 0.39 . . . . 0.0 111.415 -173.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -136.54 153.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.58 -177.5 38.52 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.846 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.0 t -125.05 137.36 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.15 134.8 10.64 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 133.25 55.68 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.01 160.1 26.66 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.746 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -134.57 141.08 46.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.429 -0.386 . . . . 0.0 110.568 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -108.94 141.58 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.703 0.627 . . . . 0.0 110.032 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -102.45 119.98 39.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.125 0.488 . . . . 0.0 111.412 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.1 p -136.12 168.72 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.323 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 m -99.0 125.5 44.48 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.378 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 173.91 149.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -80.94 114.39 48.16 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.59 134.71 18.92 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.043 1.162 . . . . 0.0 113.474 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.2 m -118.49 120.63 38.12 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 164.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -161.39 162.03 30.56 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.127 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -109.87 121.93 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 172.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 61.82 120.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.742 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -56.49 134.09 53.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.87 0.366 . . . . 0.0 110.818 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.0 m -132.36 152.42 51.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.955 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.8 p -130.29 169.1 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.935 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -95.79 142.27 28.27 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -126.92 151.02 49.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.119 0.485 . . . . 0.0 111.926 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.34 170.43 25.49 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -113.11 141.19 47.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.587 0.194 . . . . 0.0 110.602 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.2 m -132.34 145.77 51.5 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.791 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -153.27 161.03 42.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.691 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.74 -176.18 47.86 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.413 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.49 156.79 45.19 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.71 163.78 29.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.417 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 113' ' ' LEU . 4.9 mp -128.93 149.06 50.95 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -112.5 138.15 49.68 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.53 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -124.08 156.39 36.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.475 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.2 m120 66.73 72.64 0.41 Allowed Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.856 0.722 . . . . 0.0 110.505 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -87.32 -51.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.772 1.648 . . . . 0.0 112.436 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.7 ttm -56.3 -39.25 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.868 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.8 162.92 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.229 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -80.81 2.52 25.97 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.47 151.37 33.36 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.48 150.58 48.77 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.704 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.8 mt -118.34 144.28 45.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.725 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -127.87 129.79 47.49 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.571 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -126.55 130.45 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.594 0.559 . . . . 0.0 109.559 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -143.02 157.09 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 111.187 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -112.94 126.27 55.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.446 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -120.92 137.71 54.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.096 0.474 . . . . 0.0 111.362 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -128.47 142.65 51.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.169 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.0 t -138.08 144.34 40.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.253 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -117.31 118.09 31.31 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.4 mt -127.45 94.91 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 16.68 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -165.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.0 t 73.57 -8.33 1.39 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.27 132.66 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 118.608 0.64 . . . . 0.0 109.536 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -103.96 122.17 44.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.492 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.95 126.15 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 120.28 4.4 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 t -134.05 143.95 48.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.369 0.585 . . . . 0.0 111.864 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -113.01 132.82 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.243 173.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.6 tt -126.0 138.77 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.948 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -135.32 141.9 45.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.569 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.89 175.85 29.69 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.121 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -134.59 149.84 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.807 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.9 159.51 26.52 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -132.23 143.11 49.7 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -94.97 140.71 29.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.343 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.2 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.595 178.411 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p -123.78 141.16 52.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.308 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -134.2 153.04 52.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.31 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 t -131.2 133.41 45.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.52 135.12 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -141.04 160.87 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 111.365 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.21 150.86 21.52 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 109.173 -1.571 . . . . 0.0 109.173 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 170.06 32.29 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.146 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -122.52 144.3 49.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.808 -0.696 . . . . 0.0 109.698 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.32 150.91 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -114.24 140.05 48.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -112.04 125.53 54.18 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.612 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -101.56 125.59 48.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -111.92 107.91 17.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.569 . . . . 0.0 110.409 -175.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -86.89 121.82 29.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.664 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.48 65.15 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.656 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 62.8 tt0 -116.3 153.05 32.63 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.666 0.733 . . . . 0.0 109.433 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 94.8 mmm -89.83 158.6 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 65.62 125.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -84.12 162.14 20.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.604 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.0 mtt -125.01 159.35 31.51 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.059 -175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.41 139.03 11.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.736 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -152.15 168.14 31.32 Favored Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.999 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -132.53 157.17 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -144.1 150.16 37.68 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.133 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.98 135.79 52.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -119.78 138.29 53.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 0.0 111.194 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -121.97 138.0 54.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.873 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -127.05 140.09 52.54 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.254 0.346 . . . . 0.0 111.213 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.14 136.27 55.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.36 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.86 146.29 50.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.77 0.319 . . . . 0.0 111.231 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.88 140.02 31.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.214 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.5 -45.27 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -104.08 -13.29 16.32 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -147.25 72.94 12.01 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.02 134.49 19.68 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 120.824 1.016 . . . . 0.0 113.388 -169.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.2 mt -126.32 135.15 51.15 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.86 116.76 5.2 Favored Glycine 0 C--N 1.334 0.438 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -173.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -126.06 130.63 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.567 HD11 ' CD1' ' A' ' 80' ' ' TYR . 46.0 pt -126.19 141.49 45.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.96 129.89 8.33 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 172.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -128.28 137.03 51.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 110.889 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -122.03 130.2 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 172.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.2 m -123.18 137.35 54.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -125.17 126.95 46.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.485 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.736 HG22 ' HA3' ' A' ' 23' ' ' GLY . 32.2 p -127.27 150.16 49.68 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.267 0.355 . . . . 0.0 110.212 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -156.21 152.28 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.904 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -143.01 131.48 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 173.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -113.06 136.81 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.018 0.437 . . . . 0.0 110.941 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -137.47 141.31 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -132.05 147.98 52.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.933 0.397 . . . . 0.0 110.988 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.03 158.08 40.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.347 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -58.26 -33.2 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.29 -33.89 68.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.553 0.215 . . . . 0.0 111.412 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.16 4.64 53.64 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.439 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.21 118.25 24.03 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.992 0.896 . . . . 0.0 110.287 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -111.41 132.03 54.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.683 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -108.7 134.5 51.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -100.51 126.35 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -122.12 122.95 40.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.828 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -136.53 143.8 43.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.709 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -147.82 133.16 18.53 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.691 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -132.34 135.36 46.13 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.97 137.28 9.01 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.846 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -116.02 129.9 71.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -132.09 160.31 36.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.177 0.513 . . . . 0.0 111.468 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.15 147.83 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.944 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.03 139.09 6.84 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.156 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.43 163.19 34.84 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 CA-C-N 119.892 1.846 . . . . 0.0 111.852 167.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.82 152.51 51.15 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.2 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -122.14 128.78 51.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.528 0.204 . . . . 0.0 110.673 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.24 126.02 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.98 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 73' ' ' ILE . 9.7 tt -150.14 51.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.13 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.08 173.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -177.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -62.19 -38.69 90.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.977 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 19.6 p-90 -145.89 176.29 9.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.188 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 68.81 103.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.311 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t -115.94 151.05 36.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.529 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.489 HD12 HD21 ' A' ' 113' ' ' LEU . 15.8 tt -124.96 151.65 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 120.711 -0.396 . . . . 0.0 109.943 -175.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 40' ' ' ILE . 48.9 p90 -147.65 159.08 44.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.044 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.93 145.65 17.62 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 68' ' ' GLY . 26.8 m -134.22 152.15 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 111.343 -172.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.67 153.74 33.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.556 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.85 -177.92 38.97 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 119.871 -1.157 . . . . 0.0 112.187 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -136.03 142.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.99 155.0 21.41 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.567 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -117.51 135.13 54.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.59 150.17 20.02 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.756 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -138.31 132.14 31.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -138.81 156.11 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.312 0.383 . . . . 0.0 110.762 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -100.49 123.47 44.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.155 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 93' ' ' THR . 16.2 m -135.53 165.18 26.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.792 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 92' ' ' THR . 45.6 m -98.77 125.74 44.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -159.73 149.42 18.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.165 -174.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -80.38 127.96 74.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -55.92 134.32 63.36 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 120.581 0.854 . . . . 0.0 113.405 -160.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -118.53 155.54 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.002 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -97.03 121.69 39.2 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.69 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -114.35 142.33 46.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.27 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -58.05 -45.25 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -103.31 133.89 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.975 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.5 m -66.94 -38.07 85.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.362 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.7 p -115.75 163.01 16.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.12 -175.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -95.93 136.83 35.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.238 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -107.83 142.38 37.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.782 0.325 . . . . 0.0 110.737 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -133.0 154.76 21.31 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -113.03 136.88 52.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -133.95 148.15 51.14 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.541 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -149.71 152.44 35.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.063 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -175.56 -176.01 43.46 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.721 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.45 158.43 43.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.75 158.43 27.67 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.771 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 79' ' ' ILE . 73.8 mt -130.54 146.25 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -121.23 140.32 52.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.723 0.297 . . . . 0.0 110.542 177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -127.38 144.22 51.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.399 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -127.84 83.93 64.73 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.681 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.62 -165.86 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.396 1.398 . . . . 0.0 111.73 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.1 mtp -54.9 -35.16 63.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.275 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.51 152.11 9.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.761 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -80.92 12.13 3.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.85 157.01 35.89 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 O-C-N 122.158 -0.339 . . . . 0.0 110.189 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.26 37.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.366 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.52 141.53 44.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.05 135.1 46.24 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.359 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.63 145.02 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.998 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -143.08 155.14 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 111.152 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -111.73 119.47 38.76 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -122.55 138.01 54.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.06 0.457 . . . . 0.0 111.405 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -127.57 140.82 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.5 m -135.99 147.89 48.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -117.65 123.38 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.666 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.7 mt -127.41 94.86 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 14.87 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -164.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.9 m 75.17 -10.86 1.16 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.74 134.97 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 CA-C-N 118.499 0.59 . . . . 0.0 109.577 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.36 124.08 47.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.651 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -118.15 132.83 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 128.66 7.49 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.49 134.26 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.021 0.438 . . . . 0.0 111.218 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -110.61 128.22 55.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.301 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -119.79 130.55 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.699 0.285 . . . . 0.0 110.588 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.06 137.82 33.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.861 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.93 -179.69 33.95 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.174 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -131.63 146.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.91 167.02 25.78 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.833 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -130.35 143.09 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -105.1 140.75 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.531 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.598 179.138 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.5 p -122.47 141.21 51.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -122.91 147.42 46.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.055 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.9 m -127.92 133.2 49.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.466 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.47 130.25 72.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -141.0 157.01 45.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.465 . . . . 0.0 111.212 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.38 150.9 22.54 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.82 170.03 31.87 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.216 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -121.08 142.24 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.505 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 148.09 42.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.894 0.378 . . . . 0.0 111.543 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.52 140.18 49.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.187 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -119.18 137.83 53.35 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.902 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -117.08 139.01 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.17 114.73 16.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.909 -172.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -76.41 121.94 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.515 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.13 -14.37 64.61 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.768 -175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -116.37 148.86 40.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.739 0.769 . . . . 0.0 109.483 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.7 mtp -97.92 167.03 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 111.067 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.7 t30 70.53 120.38 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.917 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.07 153.61 42.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.899 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.1 156.3 35.24 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.516 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.47 141.99 13.11 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.07 168.06 31.26 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.252 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -120.85 148.89 43.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.125 -0.537 . . . . 0.0 109.675 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' HG23 ' A' ' 44' ' ' THR . 68.7 m-20 -128.95 138.64 52.1 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.013 0.196 . . . . 0.0 110.59 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.9 tp -127.2 135.92 51.33 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -125.38 143.32 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -173.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -122.05 137.12 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.518 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' NH2' HD11 ' A' ' 40' ' ' ILE . 26.4 ttm180 -132.63 140.1 48.04 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.832 0.349 . . . . 0.0 111.32 -176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -128.7 137.93 51.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.78 148.08 51.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 111.145 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -96.29 141.44 29.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.406 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.01 -45.11 86.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -103.56 -13.22 16.64 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -147.1 73.5 12.08 Favored Pre-proline 0 C--O 1.234 0.286 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.67 134.56 24.3 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 120.914 1.076 . . . . 0.0 113.226 -169.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -126.17 135.07 51.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 171.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.621 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.99 116.83 5.23 Favored Glycine 0 C--O 1.226 -0.374 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.97 130.68 73.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.413 HD11 ' NH2' ' A' ' 29' ' ' ARG . 74.8 mt -128.78 130.94 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.653 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.08 129.59 8.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -128.22 137.25 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.537 0.198 . . . . 0.0 110.807 -177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.41 131.23 54.7 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' OD1' ' A' ' 25' ' ' ASN . 65.6 m -114.18 134.73 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -118.13 120.95 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.828 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.444 0.465 . . . . 0.0 110.706 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -137.18 149.2 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.071 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.88 138.07 31.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.069 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -108.47 133.31 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -136.02 154.57 51.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.444 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.6 p -75.77 148.06 38.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.279 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.86 134.26 46.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.916 0.388 . . . . 0.0 110.835 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -163.05 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.164 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.6 m -60.59 -34.68 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.07 -7.05 54.39 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 121.332 -0.461 . . . . 0.0 113.183 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.16 121.54 28.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.046 0.923 . . . . 0.0 110.231 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -111.4 135.4 52.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -105.46 123.61 48.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.015 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.9 114.38 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -128.06 129.9 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.848 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -143.96 143.93 31.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.398 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -137.59 133.07 33.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.41 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.23 137.35 52.87 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.12 137.2 8.22 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.657 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.9 pt -115.98 136.98 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.822 0.311 . . . . 0.0 110.2 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.549 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.5 p -133.8 161.06 35.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 111.281 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.84 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.326 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.53 142.27 9.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.774 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.39 163.09 35.12 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 CA-C-N 119.749 1.774 . . . . 0.0 111.503 167.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.62 144.68 37.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.498 177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.15 130.08 52.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -114.1 108.92 17.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 tp -131.12 132.97 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.641 0.258 . . . . 0.0 110.729 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 59.97 -84.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.554 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -67.43 145.22 55.23 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.855 0.36 . . . . 0.0 110.775 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -55.39 -36.51 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.5 146.63 34.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.853 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.0 p -123.01 151.2 42.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.846 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.99 151.96 31.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.12 159.05 43.59 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.28 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.39 145.62 17.63 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.3 m -135.3 151.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.725 -171.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG22 ' HD2' ' A' ' 109' ' ' TYR . 57.7 t -126.58 153.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 170.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.549 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.41 175.32 39.68 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.247 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -138.07 139.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.19 155.08 21.49 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.49 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -128.08 146.94 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.54 148.77 19.5 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -129.59 140.76 51.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 114.814 -0.693 . . . . 0.0 109.752 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -143.94 156.04 44.28 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.351 0.407 . . . . 0.0 110.363 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -107.14 119.92 40.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 93' ' ' THR . 43.5 m -145.11 156.39 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.879 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.417 ' N ' HG22 ' A' ' 92' ' ' THR . 40.0 m -98.86 125.56 44.28 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.99 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 174.01 149.13 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -80.7 114.63 49.56 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.4 134.75 19.35 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.052 1.168 . . . . 0.0 113.638 -171.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.6 m -118.29 120.77 38.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 167.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.429 ' CE2' HG22 ' A' ' 102' ' ' THR . 51.5 p90 -161.2 152.95 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.435 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -114.25 121.9 45.11 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.633 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.7 p80 41.38 29.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -145.37 89.9 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.356 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.429 HG22 ' CE2' ' A' ' 98' ' ' TYR . 78.4 p -87.43 -19.09 28.53 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m -117.91 156.93 27.6 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.201 -0.312 . . . . 0.0 110.607 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.43 ' OD2' HD11 ' A' ' 132' ' ' ILE . 34.6 t0 -95.97 121.08 37.34 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -116.59 147.23 42.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.11 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 158.75 26.98 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.15 143.95 43.5 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -134.11 145.42 49.31 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.575 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.54 ' HD2' HG22 ' A' ' 83' ' ' VAL . 64.5 t80 -140.68 147.9 39.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.89 178.88 43.91 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.892 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.39 159.08 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.15 175.49 36.08 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.569 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.534 HD13 ' N ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -140.11 152.96 46.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 -179.454 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.479 HE21 ' HB3' ' A' ' 122' ' ' ALA . 62.6 tt0 -123.93 123.36 40.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.024 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -133.24 159.01 41.45 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.008 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -149.44 152.97 36.52 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.595 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -91.43 53.04 0.82 Allowed 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 121.865 1.71 . . . . 0.0 111.841 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 64.6 mtt 57.83 36.2 26.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.226 -177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -122.03 173.67 7.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.237 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -80.94 5.48 16.13 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.9 t -121.43 135.6 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.494 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -127.18 155.39 43.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.446 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -114.62 140.14 49.06 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -122.29 127.02 49.35 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -125.87 135.89 52.45 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.511 0.507 . . . . 0.0 109.769 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.1 m -142.92 151.38 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -114.71 126.31 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -125.3 138.06 54.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.186 0.517 . . . . 0.0 111.466 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -130.36 135.74 48.37 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.8 t -140.53 148.03 40.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 0.0 111.206 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -114.48 124.57 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.677 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.522 HG23 ' HB ' ' A' ' 135' ' ' VAL . 13.5 tt -127.47 94.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 17.14 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -164.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.0 p 76.92 -13.46 0.94 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.522 ' HB ' HG23 ' A' ' 132' ' ' ILE . 45.1 t -102.19 131.18 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 118.499 0.591 . . . . 0.0 109.685 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.01 121.55 43.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.367 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.13 137.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 134.06 9.93 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.452 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 29.1 m -121.5 133.54 55.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.066 0.46 . . . . 0.0 111.262 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -108.54 121.93 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.501 HD13 ' N ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -127.99 137.08 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.204 0.525 . . . . 0.0 111.061 -174.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.501 ' N ' HD13 ' A' ' 141' ' ' ILE . . . -140.06 139.8 35.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.612 173.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.19 175.92 29.05 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.103 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.97 144.95 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.83 162.43 26.67 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.702 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -136.35 143.26 43.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.449 -0.375 . . . . 0.0 110.113 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -105.43 139.32 40.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.418 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.635 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -122.27 141.16 51.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.45 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -127.95 142.35 51.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.424 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.0 m -127.3 133.14 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.298 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.5 t -119.91 131.28 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -135.4 146.28 48.14 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.269 0.355 . . . . 0.0 110.965 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.81 22.61 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.11 170.21 36.16 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.071 -177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -124.55 144.12 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.14 149.15 44.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 111.297 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -117.6 140.12 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.533 175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -122.73 146.29 47.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.269 . . . . 0.0 110.846 -175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -126.69 138.93 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.422 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -102.18 107.88 19.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.397 0.618 . . . . 0.0 110.018 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -73.13 121.89 20.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.807 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.98 -14.64 64.34 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 114.763 -1.108 . . . . 0.0 112.637 -175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -116.61 155.36 28.88 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.76 0.78 . . . . 0.0 110.11 169.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.6 mtp -102.04 97.77 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.301 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 51.4 p30 -176.06 164.83 2.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -135.07 150.85 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.439 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.1 mtp -132.64 152.59 51.62 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.451 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.33 134.33 7.09 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.549 -1.021 . . . . 0.0 110.549 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.45 168.05 28.52 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.825 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 26' ' ' LEU . 22.6 t80 -129.06 150.69 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 44' ' ' THR . 54.7 m-20 -131.73 137.81 48.38 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -123.07 135.99 54.64 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -138.96 153.11 48.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.48 0.657 . . . . 0.0 112.679 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -125.29 139.18 53.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.331 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HB2' HG22 ' A' ' 40' ' ' ILE . 28.2 ttp180 -129.5 140.1 51.36 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.478 0.486 . . . . 0.0 111.253 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.11 142.13 50.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -127.8 148.11 50.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -84.76 142.3 29.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.31 -45.14 77.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.0 -13.34 16.35 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -147.25 72.91 12.02 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.75 134.36 29.97 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.937 1.092 . . . . 0.0 113.118 -169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -126.21 135.1 51.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 168.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.9 116.66 5.18 Favored Glycine 0 C--N 1.333 0.407 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -174.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.55 130.67 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 29' ' ' ARG . 47.7 pt -128.25 142.23 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.738 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.33 129.92 7.76 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m -128.05 137.32 52.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.797 0.298 . . . . 0.0 111.158 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -111.57 124.28 51.97 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.63 HG23 ' OD1' ' A' ' 25' ' ' ASN . 86.2 m -112.26 131.25 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.64 128.43 45.49 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -140.0 156.87 46.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.119 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.97 157.55 41.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -133.46 134.78 43.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.2 t -114.09 137.73 51.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -136.07 143.16 44.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.4 m -121.58 136.89 54.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.06 153.74 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 t -58.07 -38.61 76.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 m -57.97 -36.03 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.214 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.03 20.34 46.81 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.289 -0.482 . . . . 0.0 112.75 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.97 141.71 47.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 117.654 0.727 . . . . 0.0 110.22 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -114.08 134.05 55.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.672 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -139.33 173.83 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.339 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -131.09 126.99 37.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -126.01 135.27 51.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -129.8 143.9 51.04 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -140.05 133.51 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -135.99 157.01 47.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.583 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.26 137.21 7.72 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 65' ' ' ILE . 16.0 tt -116.06 126.02 73.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.539 HG22 ' HA3' ' A' ' 84' ' ' GLY . 80.6 p -132.51 162.64 30.71 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.41 148.42 33.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.595 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.38 135.0 4.89 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.403 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.44 163.27 34.68 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 119.983 1.891 . . . . 0.0 111.673 165.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -135.26 151.5 50.63 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.826 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.1 130.02 52.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.543 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -114.19 132.35 56.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.018 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.4 mt -121.22 116.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.566 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.7 m120 51.54 31.26 7.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.128 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 49.66 37.67 13.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.018 0.437 . . . . 0.0 111.801 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -103.27 -62.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.323 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.31 45.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.757 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -123.64 147.22 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -125.06 151.59 30.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 66.8 m-85 -131.85 146.06 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.955 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.84 145.46 17.42 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.63 152.05 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.985 0.421 . . . . 0.0 111.748 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.77 153.73 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.338 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -172.75 -171.99 38.03 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.952 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -128.69 148.16 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.36 141.9 13.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.96 132.09 49.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.42 143.63 15.37 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -140.27 141.01 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.414 0.149 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -132.68 156.12 47.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.383 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -113.97 132.86 55.82 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.076 0.465 . . . . 0.0 111.325 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 64.9 p -136.89 173.04 12.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.861 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 93' ' ' THR . 8.9 t -98.71 125.74 44.12 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 175.83 149.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.437 -170.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -80.47 138.27 51.58 Favored Pre-proline 0 C--N 1.331 -0.204 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.49 134.51 38.75 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 120.815 1.01 . . . . 0.0 113.52 -163.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -118.37 146.44 44.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.914 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -100.42 121.72 42.0 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.281 0.562 . . . . 0.0 110.626 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.49 156.04 25.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.829 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -52.52 -37.18 57.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.593 0.235 . . . . 0.0 111.372 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -149.53 82.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -61.34 -42.9 99.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m -69.98 159.24 34.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.963 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -95.93 131.01 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.293 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -126.98 136.96 52.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.54 160.76 26.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -111.76 135.08 52.85 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.8 m -130.01 145.64 51.66 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.491 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -153.57 160.11 42.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.223 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.16 -176.85 48.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.761 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.35 159.13 44.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 110.649 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.9 166.89 30.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.2 mp -124.43 148.89 47.31 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -112.19 134.11 53.93 Favored 'General case' 0 C--N 1.333 -0.138 0 O-C-N 123.185 0.303 . . . . 0.0 110.44 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -123.0 136.79 54.99 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -123.57 87.56 52.16 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.034 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.37 -167.1 0.42 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.324 1.35 . . . . 0.0 111.926 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.3 mtt -55.96 -35.43 66.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.236 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.25 152.37 8.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.755 0.312 . . . . 0.0 110.778 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.528 ' OD1' HG13 ' A' ' 121' ' ' VAL . 25.3 p30 -80.8 11.99 3.53 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 ' OD1' ' A' ' 120' ' ' ASN . 35.2 m -123.69 157.03 30.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.9 148.91 38.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.293 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.2 mm? -110.5 141.63 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -127.25 127.01 43.71 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.264 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -121.78 130.29 53.3 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.4 t -143.06 147.73 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -111.73 123.38 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.597 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -113.82 138.07 50.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 111.073 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -122.53 134.75 54.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.499 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -130.51 132.07 45.42 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -119.28 126.38 51.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 132' ' ' ILE . 11.2 tt -127.42 118.36 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -47.07 95.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.945 0.778 . . . . 0.0 112.77 -159.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 24.3 p 149.93 -54.24 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 O-C-N 125.396 1.685 . . . . 0.0 109.387 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.4 t -109.29 136.0 46.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -170.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.18 117.96 35.49 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 173.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.16 134.14 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.64 0.257 . . . . 0.0 110.395 -175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 134.02 9.95 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.484 HG22 ' HB1' ' A' ' 10' ' ' ALA . 31.8 m -132.16 136.03 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.272 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -110.07 127.12 54.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 18.0 tt -129.43 139.57 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 111.108 -176.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.1 142.81 36.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.671 174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -154.75 -177.92 28.56 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.956 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 123' ' ' LEU . 34.5 m -133.12 150.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.61 159.34 26.81 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.656 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -137.33 143.14 41.92 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -112.65 139.14 48.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.729 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.489 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.9 m -121.85 140.58 52.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -129.01 151.02 50.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 m -129.78 133.13 46.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.16 130.14 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.8 t -141.03 160.23 40.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.957 0.408 . . . . 0.0 111.33 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 150.89 22.51 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.42 170.05 31.62 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.119 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -125.45 144.31 50.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.767 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.25 149.94 44.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.874 0.368 . . . . 0.0 111.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -111.32 140.05 46.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.263 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 t -117.48 137.11 52.75 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.103 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -130.09 138.82 50.91 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -137.02 121.38 18.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.382 0.611 . . . . 0.0 111.01 -171.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -77.17 123.35 26.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.911 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.1 -14.17 60.0 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 123.894 0.746 . . . . 0.0 112.577 -172.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.62 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 62.7 tt0 -116.13 151.75 35.02 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.741 0.771 . . . . 0.0 109.793 176.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -97.42 151.23 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 111.199 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 m120 64.81 142.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.733 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -83.98 162.08 20.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.119 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.6 mtp -127.21 164.03 22.58 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.14 139.84 11.36 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.36 167.98 27.89 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.907 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -132.43 158.06 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 44' ' ' THR . 18.6 t-20 -140.28 140.32 35.69 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.469 -177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -124.98 139.45 53.81 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -129.77 147.16 51.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.212 0.529 . . . . 0.0 111.845 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -123.96 139.08 54.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.7 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -130.59 139.6 50.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 111.242 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -131.99 141.48 49.29 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.29 148.2 44.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -92.81 140.2 29.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -65.69 -45.0 84.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -101.25 -13.25 18.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -147.17 72.94 12.09 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 134.48 19.7 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.858 1.039 . . . . 0.0 113.427 -169.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 135.18 51.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.492 -1.231 . . . . 0.0 107.765 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.72 116.7 5.17 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 -173.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.17 130.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.0 131.06 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.408 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.75 129.89 8.65 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 p -128.14 137.13 51.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.991 0.396 . . . . 0.0 111.106 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -113.56 121.84 45.44 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 25' ' ' ASN . 71.2 p -111.93 136.57 51.08 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.346 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.69 124.01 32.53 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -124.81 139.12 54.13 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.599 0.562 . . . . 0.0 110.123 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -157.68 154.06 27.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.239 -175.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -137.15 126.83 25.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.7 t -109.28 131.89 54.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.954 0.406 . . . . 0.0 110.813 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -140.06 137.18 34.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.088 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 51' ' ' THR . 7.7 t -132.73 127.31 34.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.15 153.06 48.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.292 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 m -58.86 -38.82 79.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.804 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.3 t -147.18 150.23 34.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.434 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.06 21.07 56.37 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.787 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -58.44 147.19 32.41 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 117.542 0.671 . . . . 0.0 110.885 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -115.32 152.07 33.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.053 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.89 158.84 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.568 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -101.04 140.23 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.447 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -117.45 133.89 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.857 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -120.92 143.91 48.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -124.44 133.7 53.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.968 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -131.69 134.82 46.33 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.96 137.05 9.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.956 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 65' ' ' ILE . 16.5 tt -116.34 127.24 74.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -140.02 159.23 42.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 111.271 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.9 39.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.413 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.597 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -149.32 140.67 8.3 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.725 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.36 163.23 34.94 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 CA-C-N 119.75 1.775 . . . . 0.0 111.5 168.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.27 150.6 52.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.731 0.301 . . . . 0.0 110.476 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -122.05 130.1 52.98 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -113.79 107.79 16.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.1 mt -103.04 -72.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.533 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -84.86 138.88 32.28 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -53.48 -39.48 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.352 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -75.59 -41.55 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.865 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.9 124.9 49.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.108 0.48 . . . . 0.0 112.254 -173.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 m -124.11 150.21 45.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.485 172.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -124.98 151.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -148.05 156.31 42.49 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.178 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.6 145.58 17.02 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.597 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.6 m -135.04 153.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 111.559 -170.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.25 153.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.44 -172.04 37.16 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.834 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.5 146.58 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.44 14.32 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -119.92 140.39 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.64 128.14 8.17 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -119.76 141.04 49.81 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.833 0.373 . . . . 0.0 110.235 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -111.4 137.61 48.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.33 0.394 . . . . 0.0 109.961 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -98.51 119.9 38.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.992 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 t -145.09 165.85 27.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 p -98.93 125.83 44.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 178.6 149.27 0.22 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -80.54 142.06 53.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.07 134.46 52.93 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 120.825 1.017 . . . . 0.0 113.074 -166.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 98' ' ' TYR . 52.1 m -118.5 157.02 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.294 173.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 97' ' ' THR . 96.8 m-85 -97.39 121.55 39.42 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.813 175.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.33 154.31 28.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.939 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -57.68 -40.93 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.316 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -143.67 82.52 1.73 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.028 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.4 m -60.91 -39.56 89.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.317 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 m -118.93 154.0 33.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.781 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -96.06 144.82 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.064 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -136.03 154.17 51.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.116 0.484 . . . . 0.0 111.466 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.564 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -152.05 175.99 30.54 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 177.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -113.28 147.41 37.63 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.195 0.045 . . . . 0.0 111.026 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 96.4 p -134.06 148.77 51.09 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.011 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -149.84 153.79 37.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.333 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.78 -179.48 47.92 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.938 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.87 44.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.41 164.57 28.37 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.821 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.3 mt -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -117.46 134.89 54.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.132 0.27 . . . . 0.0 110.547 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -122.82 136.69 54.95 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.596 ' OD1' ' HB2' ' A' ' 122' ' ' ALA . 8.6 m-80 -127.73 85.7 60.11 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.673 -177.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.71 -168.03 0.29 Allowed 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.315 1.343 . . . . 0.0 111.791 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.22 -36.73 68.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.861 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -56.47 154.74 8.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -80.82 12.06 3.49 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p -121.62 143.88 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.596 ' HB2' ' OD1' ' A' ' 116' ' ' ASN . . . -114.93 151.58 33.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 tt -115.47 135.28 54.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.022 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.58 129.42 53.76 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -131.07 130.05 42.73 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -143.09 155.34 44.58 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 111.804 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -109.44 131.19 55.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.485 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -127.08 138.06 53.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.45 141.36 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.3 t -143.91 148.07 34.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.411 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -111.35 122.86 48.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.43 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.564 HD13 ' HA3' ' A' ' 106' ' ' GLY . 44.0 mm -127.26 94.88 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -176.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 16.69 95.19 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -164.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 75.4 -12.18 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -104.2 133.0 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 118.553 0.615 . . . . 0.0 109.709 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -104.01 119.67 39.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.187 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.8 p -121.21 136.96 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 110.951 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.19 134.0 9.89 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -130.3 144.04 51.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.13 0.465 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -111.75 126.86 55.51 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 70.6 mt -116.56 126.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.41 137.27 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.823 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.07 -177.94 34.61 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.908 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.75 150.94 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.68 169.0 26.68 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.051 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -134.58 143.18 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -108.84 143.27 38.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.0 110.91 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.482 179.476 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 m -124.27 140.41 52.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -120.91 146.29 46.78 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 m -129.74 133.23 46.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.394 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -122.85 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 20.5 p -139.72 166.3 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.256 0.551 . . . . 0.0 110.841 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 150.8 22.65 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.94 167.96 32.29 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -123.21 143.76 49.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.787 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.31 145.85 39.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -121.47 140.08 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.1 p -124.04 146.05 48.81 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.002 -174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -122.34 130.41 53.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.931 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . . . -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.192 0.52 . . . . 0.0 110.25 -175.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.14 121.88 18.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.472 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.58 -14.41 61.99 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.641 -173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 54.1 tp60 -116.37 147.67 41.39 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 117.655 0.728 . . . . 0.0 109.322 172.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.88 160.07 17.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 66.61 142.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.925 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -92.21 162.12 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.337 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.4 mtp -122.41 159.5 27.41 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.32 141.84 13.14 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.94 168.19 32.87 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.568 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.86 156.38 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' A' ' 44' ' ' THR . 75.9 m-20 -134.47 141.34 46.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.029 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.97 135.92 54.66 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 173.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -124.56 139.46 53.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.138 0.494 . . . . 0.0 111.411 -174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -122.03 139.12 54.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.608 176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -128.15 140.04 52.15 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.927 0.394 . . . . 0.0 111.57 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.14 139.77 53.1 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.246 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -139.62 148.09 41.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.35 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -88.91 146.67 24.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.384 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.42 -45.01 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -101.25 -13.24 18.16 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.3 p -147.15 72.89 12.12 Favored Pre-proline 0 C--O 1.234 0.289 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.05 134.56 19.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 120.925 1.083 . . . . 0.0 113.422 -171.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.2 mt -126.19 135.29 51.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 170.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.72 5.18 Favored Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -170.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.99 130.72 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -123.99 131.01 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.541 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.3 129.91 8.72 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.951 -1.659 . . . . 0.0 108.951 173.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -128.08 137.04 51.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.49 127.54 54.51 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.502 HG23 ' OD1' ' A' ' 25' ' ' ASN . 47.7 m -113.63 130.33 56.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.655 0.264 . . . . 0.0 110.368 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -123.12 120.85 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -130.35 146.6 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.425 . . . . 0.0 111.258 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -135.94 160.3 39.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.37 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.68 129.11 42.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.744 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -117.09 136.68 52.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 111.031 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -135.81 154.4 51.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.267 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.9 p -120.98 141.4 50.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.275 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.15 149.54 51.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.47 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.9 p -62.39 -37.35 85.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -61.43 -36.02 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.252 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -7.12 56.54 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.296 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -97.63 124.99 42.14 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.007 0.903 . . . . 0.0 110.365 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -139.69 152.18 46.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.092 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -110.64 145.65 37.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -102.49 135.46 44.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.917 0.389 . . . . 0.0 111.243 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -114.21 130.32 56.62 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -120.99 143.69 48.9 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.66 -174.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -130.9 137.04 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.652 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -122.98 136.89 55.03 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.39 134.49 7.63 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.612 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 65' ' ' ILE . 16.0 tt -116.25 125.86 73.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.604 HG22 ' HA3' ' A' ' 84' ' ' GLY . 76.2 p -131.65 160.12 36.34 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.069 0.461 . . . . 0.0 111.42 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.11 147.41 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.24 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.575 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 142.09 9.14 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.834 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.3 163.07 35.37 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 119.835 1.818 . . . . 0.0 111.566 168.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -141.55 143.18 33.62 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.626 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -122.25 130.17 52.92 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.449 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -94.82 124.01 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.417 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.3 tt -135.8 154.59 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.425 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 58.25 169.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -56.07 -39.1 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.038 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -149.75 92.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 177.6 112.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.345 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.2 p -123.02 151.06 42.25 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 tt -133.53 151.77 33.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.401 ' HH ' ' HG ' ' A' ' 126' ' ' SER . 48.6 p90 -148.09 158.85 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.695 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.84 145.61 17.24 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.806 -1.317 . . . . 0.0 109.806 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.575 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.4 m -136.32 152.61 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.351 -173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.34 153.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.604 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -167.13 -177.88 39.1 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.992 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -125.98 138.81 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 138.16 12.12 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -122.34 137.84 54.72 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.67 140.55 12.95 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -132.64 133.87 44.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.61 134.05 51.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.677 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -100.21 120.87 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.597 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -143.88 164.28 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -98.86 125.92 44.38 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 179.96 149.32 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.791 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -80.56 142.13 53.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.23 134.53 39.53 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 120.822 1.015 . . . . 0.0 113.601 -165.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.7 m -118.38 157.13 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.742 171.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -96.84 121.64 38.92 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.366 0.603 . . . . 0.0 110.208 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -114.34 156.13 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -54.9 -38.54 67.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.782 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -131.95 167.39 19.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 t -121.94 -37.28 2.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.169 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m -119.67 150.41 40.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.791 0.329 . . . . 0.0 110.5 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -98.89 145.1 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.83 154.35 51.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.049 0.452 . . . . 0.0 111.598 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.67 168.68 30.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.16 142.64 45.53 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.5 p -134.08 148.87 51.08 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.73 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -155.84 162.26 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.761 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.46 -178.81 47.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.68 158.39 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -156.2 174.41 34.06 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.836 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.29 147.04 50.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.328 . . . . 0.0 110.238 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -125.0 127.34 46.85 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.365 0.415 . . . . 0.0 110.088 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -133.24 158.92 41.68 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -141.14 142.37 27.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 119.316 -0.373 . . . . 0.0 110.369 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -95.74 -158.74 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.975 1.784 . . . . 0.0 111.052 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -55.61 -36.86 67.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.843 175.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.89 153.61 28.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.442 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -81.03 12.06 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.5 t -110.0 136.06 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 118.1 0.409 . . . . 0.0 110.097 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.02 155.61 26.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.354 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.5 mp -121.77 146.02 47.47 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -133.25 138.84 46.64 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.581 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -138.31 142.87 39.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.831 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.401 ' HG ' ' HH ' ' A' ' 80' ' ' TYR . 8.9 m -143.12 157.0 44.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.72 122.95 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -118.71 137.99 52.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.205 0.526 . . . . 0.0 111.652 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -131.96 139.42 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.201 174.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -136.36 145.04 44.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.829 0.347 . . . . 0.0 110.784 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -116.97 121.01 40.17 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.709 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.1 mt -127.42 94.76 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 14.74 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -164.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.6 m 73.14 -7.6 1.47 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -102.79 134.53 43.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 118.596 0.635 . . . . 0.0 109.35 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -104.08 120.98 42.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.826 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.3 t -117.36 133.13 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.14 129.12 7.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 33.0 m -125.67 134.27 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 111.081 -177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -107.69 131.14 54.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.34 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 10' ' ' ALA . 2.7 pp -123.94 139.36 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 111.009 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.06 137.19 29.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.612 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.54 179.24 32.53 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.877 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.93 156.43 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -142.24 157.97 26.7 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.668 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -131.94 143.05 49.84 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -109.16 141.22 41.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.574 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.548 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 m -122.46 140.98 52.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.317 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -129.42 144.22 51.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.2 p -128.32 133.27 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.347 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.36 127.92 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -134.27 148.89 50.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 150.87 22.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.38 170.02 34.45 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.0 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -126.49 144.29 50.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.969 -0.615 . . . . 0.0 109.998 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.01 144.79 39.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.045 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -116.8 140.09 49.83 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -120.19 139.73 52.2 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.065 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -110.9 139.08 46.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.185 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -103.07 107.89 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.377 0.608 . . . . 0.0 110.079 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -84.16 121.9 28.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.973 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 -14.63 59.22 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.624 -174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.635 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 63.3 tt0 -116.55 149.11 40.16 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 117.697 0.748 . . . . 0.0 109.59 170.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.14 97.79 9.49 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.251 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.64 158.01 1.0 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.083 0.468 . . . . 0.0 111.017 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -130.61 146.85 52.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.303 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -131.27 158.15 41.38 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.79 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.34 138.78 9.27 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.97 165.28 29.74 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.894 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.19 154.23 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -144.09 150.1 37.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.805 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.3 mt -123.81 136.55 54.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.437 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -120.37 139.35 52.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 111.225 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -121.9 139.09 54.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.769 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -132.46 140.12 48.26 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.426 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -119.64 141.92 48.9 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.371 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -132.54 145.27 51.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.346 . . . . 0.0 111.155 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -100.71 140.28 35.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.8 -45.17 79.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.17 -13.37 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.0 m -147.23 72.92 12.04 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.95 134.5 19.81 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 120.841 1.027 . . . . 0.0 113.349 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -126.13 135.16 51.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.792 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.89 116.84 5.23 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 119.863 -1.16 . . . . 0.0 110.281 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.96 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.5 mt -123.97 131.04 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.61 129.9 7.69 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 173.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -128.02 137.0 52.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.883 0.373 . . . . 0.0 111.364 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -112.56 123.28 49.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 m -118.38 136.31 53.82 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.089 -175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -120.07 122.9 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.105 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -126.93 143.7 51.21 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.101 0.25 . . . . 0.0 110.7 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -128.85 148.12 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.914 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -86.8 137.76 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.762 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.2 p -87.82 150.08 23.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.397 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -101.83 137.46 40.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.805 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -136.5 148.04 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.46 123.95 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.685 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -175.22 -67.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.417 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.7 p -64.21 -33.2 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.543 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.34 -6.95 61.66 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.288 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -105.65 166.39 10.49 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.057 0.928 . . . . 0.0 110.667 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -116.13 128.7 55.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.53 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -144.93 115.97 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.542 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -102.69 127.6 49.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.47 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -125.9 126.57 44.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -133.03 150.54 52.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.11 157.24 42.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.347 0.594 . . . . 0.0 112.212 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.21 140.64 52.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.597 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 136.08 9.1 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.605 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.29 126.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.6 p -129.84 157.6 41.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.06 0.457 . . . . 0.0 111.159 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.21 144.97 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.525 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -158.33 149.51 19.82 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.713 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 163.28 34.46 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.123 1.882 . . . . 0.0 112.382 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.792 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.51 154.98 47.8 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.777 0.322 . . . . 0.0 110.412 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -122.03 130.16 53.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -113.47 132.1 55.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 76' ' ' TRP . 15.5 tt -126.27 144.37 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.326 175.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -79.64 139.89 37.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.451 . . . . 0.0 111.425 -174.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 58.87 46.87 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.437 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.548 ' HB3' HG23 ' A' ' 73' ' ' ILE . 74.9 t-105 -160.59 -80.66 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.167 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 73' ' ' ILE . . . 177.76 178.85 0.31 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -123.98 149.15 46.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.952 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 113' ' ' LEU . 48.5 pt -130.64 151.93 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -147.9 158.95 44.3 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.379 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.61 145.39 16.77 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.525 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.5 m -137.39 156.61 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 111.523 -171.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.0 t -137.26 153.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.2 -176.39 37.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.943 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.96 148.81 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.04 140.05 11.43 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -117.12 130.81 56.87 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.16 151.13 19.05 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.611 -0.595 . . . . 0.0 111.611 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -142.02 141.22 32.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.64 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -130.21 155.43 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.156 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -107.4 119.88 40.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.17 0.51 . . . . 0.0 111.518 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.0 t -145.16 165.61 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.574 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.0 m -98.95 125.4 44.38 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.785 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -165.22 149.4 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.278 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -80.79 114.86 51.61 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 169.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.34 134.53 19.15 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 CA-C-N 119.814 0.969 . . . . 0.0 113.964 -164.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.3 m -118.51 120.87 38.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.871 166.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -155.13 129.8 9.23 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.628 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -114.06 121.79 44.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.809 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.9 m170 46.35 29.19 0.82 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -145.81 148.96 33.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.805 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 82.3 p -143.32 -30.59 0.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.032 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.4 p -131.0 168.69 16.95 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.725 0.297 . . . . 0.0 110.905 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.85 130.26 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.213 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -112.91 139.34 48.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.156 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.39 156.61 24.12 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -113.1 141.35 47.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.475 0.138 . . . . 0.0 110.634 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.2 m -134.07 149.83 51.16 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.229 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -154.0 159.39 41.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.79 47.68 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.571 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.9 159.61 41.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.69 158.25 27.61 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.734 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' ILE . 68.3 mt -121.55 142.19 50.33 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -113.29 132.51 55.53 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.12 0.262 . . . . 0.0 110.377 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -122.92 139.61 53.87 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.221 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -128.68 83.05 67.34 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.622 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -75.15 -164.71 0.25 Allowed 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.356 1.37 . . . . 0.0 111.704 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -54.88 -35.09 63.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.45 151.35 10.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.814 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -81.02 12.14 3.56 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 146' ' ' TYR . 34.6 m -123.64 157.01 30.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 O-C-N 122.149 -0.344 . . . . 0.0 110.273 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.83 146.74 40.72 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.7 mt -113.9 141.39 47.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.97 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -123.33 126.97 47.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -121.64 129.38 52.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -142.93 144.82 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.466 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -112.44 120.28 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.468 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -124.91 138.11 54.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 111.405 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -126.41 148.66 49.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.548 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.2 p -140.75 148.2 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.704 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -116.04 125.34 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.902 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.44 94.93 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 16.38 95.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -165.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.7 m 75.43 -11.65 1.07 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.342 170.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.2 t -104.05 133.19 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 118.667 0.667 . . . . 0.0 109.358 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -104.05 127.79 51.63 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.626 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 45.9 t -119.24 131.01 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.13 128.7 7.48 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 8.9 t -134.1 144.07 48.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 111.405 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.7 m-90 -107.98 134.03 51.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.517 174.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.474 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.2 mt -118.16 128.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.532 -176.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.48 136.8 38.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.806 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.52 -179.4 31.49 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.007 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.94 149.44 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.9 159.01 26.45 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.057 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.482 ' CE1' HG12 ' A' ' 121' ' ' VAL . 77.1 m-85 -123.33 143.06 50.34 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -111.91 135.88 51.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.301 . . . . 0.0 110.634 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.533 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 m -122.07 140.45 52.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -123.97 140.49 52.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.405 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 147' ' ' ARG . 66.0 p -129.47 133.33 47.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.317 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.05 130.86 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.77 HG22 ' HA3' ' A' ' 145' ' ' GLY . 23.5 p -138.78 168.21 20.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.186 0.517 . . . . 0.0 110.977 -176.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 150.7 22.48 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 169.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.56 169.47 33.92 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.844 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -124.51 144.35 50.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.975 -0.613 . . . . 0.0 110.319 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.578 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.1 147.37 41.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -125.71 140.11 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.463 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 m -122.38 140.01 53.18 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.854 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -122.47 139.05 54.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.24 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.11 108.0 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.325 0.583 . . . . 0.0 110.291 -175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -80.5 121.88 26.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.04 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.35 -14.51 54.33 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.746 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 69.0 tp60 -116.42 145.17 43.46 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 117.621 0.71 . . . . 0.0 109.612 172.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.4 mtp -87.14 98.02 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.667 -0.413 . . . . 0.0 109.997 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -171.4 137.09 1.06 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.223 0.535 . . . . 0.0 111.817 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -134.96 134.16 40.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.1 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.4 mtm -132.62 150.74 52.11 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.715 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.42 135.4 8.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.683 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -149.94 168.23 30.01 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.387 -175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -124.34 155.66 38.35 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -144.05 150.12 37.71 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.754 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.9 mt -123.84 145.98 48.7 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -127.25 135.88 51.22 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.065 0.46 . . . . 0.0 111.214 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -121.96 139.18 53.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.544 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HG2' HG22 ' A' ' 40' ' ' ILE . 79.5 mtp180 -118.99 140.2 50.4 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.361 0.413 . . . . 0.0 111.405 -177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -126.51 137.19 53.34 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.165 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -131.03 148.15 52.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 111.68 -176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -96.55 145.32 25.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.424 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -45.12 66.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -104.19 -13.3 16.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -147.15 79.28 9.95 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.01 134.44 31.91 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 120.708 0.939 . . . . 0.0 113.013 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -126.26 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.009 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.76 5.19 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.88 131.03 68.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 109.922 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.574 HG22 ' HG2' ' A' ' 29' ' ' ARG . 30.6 pt -123.92 137.14 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.049 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.49 129.9 7.91 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 t -128.13 136.98 51.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.841 0.353 . . . . 0.0 111.131 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -116.48 126.1 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 m -121.14 135.63 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.52 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -126.72 125.75 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.683 HG22 ' HA3' ' A' ' 23' ' ' GLY . 67.5 p -125.32 148.88 48.54 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.379 0.424 . . . . 0.0 110.206 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -139.85 151.41 45.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.93 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -133.31 134.45 43.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 m -118.27 144.26 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -133.24 139.17 46.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.286 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -122.81 130.36 52.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.908 0.385 . . . . 0.0 110.451 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.11 154.78 47.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.212 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.3 p -59.65 -37.32 78.38 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.923 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.7 p -65.74 -32.95 74.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.491 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.87 0.5 62.11 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 121.254 -0.498 . . . . 0.0 113.413 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -86.34 118.84 26.03 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.083 0.941 . . . . 0.0 110.723 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -137.67 152.11 48.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.919 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -110.53 129.76 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.388 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.8 123.35 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.985 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -128.05 130.82 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.286 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -126.23 143.87 50.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.36 139.34 51.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -133.9 138.67 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.61 137.15 8.95 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.616 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.7 tt -116.24 131.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.6 p -131.51 159.22 38.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.053 0.454 . . . . 0.0 111.347 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.88 145.76 26.72 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.454 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -151.71 138.5 6.55 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.174 -1.013 . . . . 0.0 112.887 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.3 163.09 35.33 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 CA-C-N 119.973 1.886 . . . . 0.0 111.492 168.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.39 153.48 42.73 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.008 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -122.02 130.18 53.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.372 0.42 . . . . 0.0 110.675 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.8 mt -118.84 139.92 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.742 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.26 124.87 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 54.44 39.53 31.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.057 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -153.52 166.04 33.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 157.78 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.093 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -113.35 151.15 31.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.654 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.0 mt -124.91 151.77 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -174.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -146.07 157.08 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.181 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.9 145.68 17.64 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.454 HG12 ' HA3' ' A' ' 68' ' ' GLY . 30.8 m -136.4 150.54 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.154 0.477 . . . . 0.0 111.649 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.655 HG12 ' CD2' ' A' ' 109' ' ' TYR . 34.3 m -135.5 153.9 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 170.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.89 -177.8 39.96 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.343 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.49 139.63 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.04 140.47 11.92 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -128.07 147.02 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.642 0.258 . . . . 0.0 110.473 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -120.21 137.61 12.37 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -129.34 140.92 51.22 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.753 0.326 . . . . 0.0 110.403 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -131.57 156.27 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.92 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -53.48 140.4 28.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.9 m -114.42 142.86 45.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 111.756 -172.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 94' ' ' GLU . 43.9 m -111.05 156.17 21.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.013 175.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 93' ' ' THR . 96.0 mt-10 -77.68 104.8 8.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.243 0.544 . . . . 0.0 110.668 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -115.18 147.57 38.79 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.981 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.68 155.19 22.7 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.171 1.247 . . . . 0.0 110.776 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.0 m -79.84 129.57 34.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.336 0.588 . . . . 0.0 111.761 -170.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -151.75 162.11 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.467 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -79.56 121.74 25.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.772 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 178.95 139.67 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.791 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.03 99.8 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.4 m -64.71 -43.43 93.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.619 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p -74.06 159.73 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -108.52 139.05 43.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -136.09 155.42 50.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.834 0.35 . . . . 0.0 111.329 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.54 166.37 31.73 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -113.12 142.93 45.19 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 m -128.38 143.69 51.04 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.216 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.655 ' CD2' HG12 ' A' ' 83' ' ' VAL . 24.2 m-85 -140.89 149.13 41.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.625 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.28 179.3 45.71 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.211 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.46 153.17 39.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.7 168.13 28.06 Favored Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.16 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 140.43 52.28 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.22 131.81 54.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.587 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.15 153.33 51.63 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.797 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -129.17 88.79 50.11 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.99 -163.43 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.239 1.292 . . . . 0.0 111.429 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -54.01 -34.96 61.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.587 0.232 . . . . 0.0 111.309 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -56.21 152.18 11.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.774 0.321 . . . . 0.0 110.653 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -80.88 12.01 3.56 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.11 157.04 34.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 O-C-N 122.067 -0.396 . . . . 0.0 110.314 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.94 149.37 37.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.991 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.7 mp -116.62 140.53 49.3 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -177.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -122.55 127.56 49.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.386 0.429 . . . . 0.0 110.172 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -127.04 131.64 50.89 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.535 0.522 . . . . 0.0 109.648 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.0 t -143.16 153.34 42.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.042 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -109.93 122.07 46.69 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.487 ' HB3' HG23 ' A' ' 139' ' ' THR . 45.2 tp10 -116.97 136.51 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -127.91 139.1 52.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.9 m -131.85 146.3 52.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -114.27 122.8 47.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.639 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.456 HD12 HG21 ' A' ' 137' ' ' VAL . 75.9 mt -127.41 94.8 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 13.32 95.25 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -164.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m 74.78 -9.66 1.31 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.8 t -104.03 135.63 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 118.514 0.597 . . . . 0.0 109.552 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -102.4 122.27 43.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.53 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.456 HG21 HD12 ' A' ' 132' ' ' ILE . 44.7 t -114.21 131.37 66.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 123.05 5.42 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 128' ' ' GLU . 9.2 t -134.09 143.45 48.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -115.67 135.93 53.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.638 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.578 HG22 ' HB2' ' A' ' 10' ' ' ALA . 46.7 pt -116.33 137.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.41 134.42 29.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.456 173.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.72 173.84 32.36 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.249 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.0 t -129.41 145.62 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -140.93 158.14 26.17 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.785 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -133.6 143.05 48.4 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 4' ' ' THR . 27.4 ptt180 -125.62 144.45 50.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 0.0 111.319 -176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.462 178.643 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -133.28 141.13 47.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -124.35 141.68 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.374 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 m -129.39 133.09 47.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.06 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.13 133.34 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 t -139.69 154.8 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.781 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.71 150.87 22.0 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.78 170.04 31.85 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.134 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -119.92 144.13 47.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.033 -0.583 . . . . 0.0 109.545 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 141' ' ' ILE . . . -139.18 146.77 40.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.832 0.349 . . . . 0.0 111.252 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -121.21 140.15 52.42 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -118.54 137.76 53.0 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.814 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -111.51 139.04 47.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.334 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.85 107.97 19.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.238 0.542 . . . . 0.0 109.987 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -84.78 121.82 28.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.969 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.31 -14.71 60.27 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 114.792 -1.095 . . . . 0.0 112.68 -174.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.624 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 50.9 tt0 -116.5 144.95 43.69 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 117.683 0.742 . . . . 0.0 109.472 170.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.1 mtt -94.09 97.78 10.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.323 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.46 155.37 0.86 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.018 0.437 . . . . 0.0 111.093 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -130.99 146.41 52.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.497 173.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.0 mtp -132.65 158.57 41.95 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.968 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.14 141.18 12.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.25 168.15 31.94 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.9 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -128.35 150.72 49.97 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' A' ' 44' ' ' THR . 87.0 m-20 -125.75 139.49 53.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.475 0.179 . . . . 0.0 111.391 -176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.0 mt -122.89 137.21 55.0 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -128.55 146.57 50.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 112.039 -173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -121.86 139.04 54.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.765 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -120.96 139.32 53.42 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.295 0.372 . . . . 0.0 110.913 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -129.55 141.72 50.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -140.07 145.96 38.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.707 0.289 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -97.74 141.57 30.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.184 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -68.48 -45.04 73.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -104.18 -13.41 16.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -147.29 74.28 11.76 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.12 134.52 19.54 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 120.927 1.085 . . . . 0.0 113.497 -170.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.13 135.22 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.77 116.61 5.15 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 119.7 -1.238 . . . . 0.0 110.125 -171.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -123.96 130.73 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -123.89 131.82 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.4 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.8 129.86 8.88 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -127.94 137.09 52.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.987 0.394 . . . . 0.0 111.296 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -112.29 127.88 56.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.587 HG23 ' OD1' ' A' ' 25' ' ' ASN . 58.1 m -113.82 129.64 56.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.38 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -118.72 120.97 39.0 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -127.14 146.24 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 123.177 0.298 . . . . 0.0 110.559 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -128.94 146.95 50.82 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.287 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -125.04 135.78 53.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.815 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.6 p -115.31 146.48 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -139.01 140.14 38.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.308 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -123.57 134.35 53.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.821 0.343 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.04 151.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -59.04 -37.75 77.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.011 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -57.47 -35.06 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.37 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 -5.63 54.89 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.344 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.6 142.58 56.41 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 118.083 0.942 . . . . 0.0 110.265 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -115.08 131.97 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.819 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -114.51 126.78 55.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.96 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -97.89 126.06 43.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 111.434 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -124.09 141.03 52.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -137.54 143.95 41.86 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.962 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -133.68 132.22 40.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.234 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -128.21 138.94 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.5 137.01 8.95 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.555 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.24 127.94 73.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.3 t -140.11 160.18 40.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.039 0.447 . . . . 0.0 111.753 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.78 151.71 37.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.328 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.592 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.4 135.61 5.29 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.035 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.38 163.22 34.89 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 CA-C-N 120.057 1.928 . . . . 0.0 111.992 167.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 80' ' ' TYR . . . -109.0 153.96 22.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.677 0.275 . . . . 0.0 110.811 178.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -122.16 130.11 52.92 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -104.83 107.91 19.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 0.0 110.817 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' H ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -140.25 125.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 173.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 58.79 112.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.13 0.491 . . . . 0.0 110.065 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -51.35 -32.29 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.083 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -52.26 -36.8 53.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.82 151.18 40.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.264 0.554 . . . . 0.0 112.078 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -124.1 151.27 44.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.121 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.7 mt -124.84 151.7 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.818 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 66.3 m-85 -134.06 147.92 50.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.91 145.38 17.37 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' HA3' ' A' ' 68' ' ' GLY . 29.6 m -138.49 154.1 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.597 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.3 t -138.11 153.65 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 170.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.89 -178.59 39.45 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.865 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.35 140.69 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.44 148.96 18.86 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -128.07 144.24 51.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.28 135.76 10.12 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -130.56 141.19 50.47 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -120.3 156.16 31.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.149 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -54.61 136.83 44.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.2 m -127.46 148.39 50.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.171 0.51 . . . . 0.0 111.25 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 94' ' ' GLU . 35.9 m -98.94 156.26 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.262 175.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 93' ' ' THR . 46.4 tp10 -77.78 104.81 8.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.523 0.677 . . . . 0.0 110.304 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -115.29 147.61 38.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.97 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.44 155.26 21.31 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.049 1.166 . . . . 0.0 110.349 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 p -79.73 120.98 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.426 0.631 . . . . 0.0 111.516 -169.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -154.22 158.64 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.397 177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -84.01 121.95 28.1 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.491 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -177.06 -63.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.44 121.45 26.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.303 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.6 m -126.57 143.74 51.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.334 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.7 p -66.91 163.19 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.281 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -98.77 139.27 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.514 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -136.06 155.12 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.02 32.84 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -113.08 142.98 45.11 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.9 m -133.99 147.69 51.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.972 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -152.85 161.39 42.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 176.0 -177.14 47.71 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.563 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.8 43.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.589 0.233 . . . . 0.0 110.543 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.3 161.55 27.63 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.552 -178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.2 mp -125.3 152.91 44.05 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -109.89 139.23 45.2 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -128.34 156.92 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.785 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -115.51 84.53 12.27 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.671 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.26 -64.71 0.13 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.349 1.366 . . . . 0.0 112.242 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.0 mmm -95.55 -73.47 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.598 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -175.31 -65.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.887 0.375 . . . . 0.0 110.789 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -85.35 11.17 10.77 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.43 141.06 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-N 117.956 0.344 . . . . 0.0 110.179 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 140.95 48.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.456 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 144' ' ' VAL . 18.0 tp -116.24 132.82 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.66 134.49 53.74 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.482 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.425 ' HE1' HD23 ' A' ' 123' ' ' LEU . 96.4 m-85 -127.79 138.78 52.85 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.933 0.771 . . . . 0.0 109.536 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.449 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.5 m -142.98 157.02 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.109 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -109.97 121.65 45.73 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -116.31 134.38 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.008 0.432 . . . . 0.0 111.306 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -130.09 141.26 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.288 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -137.96 146.34 43.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -118.85 123.21 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.797 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.6 mt -127.49 94.88 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 15.06 95.17 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -165.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t 74.45 -9.06 1.36 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.88 134.46 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.11 129.43 51.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.673 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.0 t -120.06 135.11 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.0 123.99 5.72 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.418 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.4 m -125.55 133.86 52.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 110.883 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.39 132.51 54.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.375 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.911 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 pt -121.99 141.51 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.278 0.561 . . . . 0.0 111.118 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 138.23 29.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.425 172.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -160.08 178.49 36.12 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.155 -1.022 . . . . 0.0 112.168 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 123' ' ' LEU . 35.8 m -133.19 151.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.67 162.68 26.98 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.89 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -136.9 143.08 42.78 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -119.08 145.59 45.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.122 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.763 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.494 HG21 ' NH2' ' A' ' 147' ' ' ARG . 66.0 p -123.85 141.26 52.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.277 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -126.32 148.57 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.206 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -127.56 133.24 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.86 127.99 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.64 HG23 ' C ' ' A' ' 144' ' ' VAL . 7.1 m -137.49 146.65 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.245 0.341 . . . . 0.0 110.483 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 150.86 21.44 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.17 170.1 33.8 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.747 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -124.4 144.23 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.164 -0.518 . . . . 0.0 109.698 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 144.38 38.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.28 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -118.53 140.04 50.51 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -119.76 138.56 53.25 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.993 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -103.49 139.02 39.4 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.67 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -117.68 107.93 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -173.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -86.25 121.86 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.573 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.51 59.48 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.726 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.67 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.8 tp60 -116.48 145.33 43.38 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 117.611 0.705 . . . . 0.0 109.221 171.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.3 mtt -88.0 160.43 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.341 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 71.45 141.86 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.964 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -90.93 162.08 14.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.071 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -123.43 153.07 40.94 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.552 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.96 138.61 10.04 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.01 168.18 32.37 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.199 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.65 153.49 39.29 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' C ' HD22 ' A' ' 26' ' ' LEU . 65.5 m-20 -134.48 141.14 46.66 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.07 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.86 135.97 54.7 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -121.72 140.91 51.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.143 0.497 . . . . 0.0 111.968 -173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -127.63 139.16 52.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.705 175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.11 140.33 39.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.837 0.351 . . . . 0.0 111.764 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -122.99 141.95 51.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -122.13 145.88 47.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -96.49 139.89 31.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.375 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -66.93 -45.07 78.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -173.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.1 -13.33 16.3 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -147.18 72.97 12.08 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.03 134.39 36.79 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 120.765 0.977 . . . . 0.0 113.075 -169.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 tp -126.27 135.29 51.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.234 171.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.563 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.74 116.71 5.18 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -175.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.92 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 80' ' ' TYR . 71.3 mt -124.05 130.81 73.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 174.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.36 129.98 6.44 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -126.3 137.11 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.931 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -106.59 124.31 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' CG ' ' A' ' 25' ' ' ASN . 49.6 p -114.02 134.57 54.77 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -175.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -127.82 120.97 28.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 18.4 p -128.72 154.47 46.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.847 0.356 . . . . 0.0 110.329 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -130.66 155.16 47.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.942 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -101.99 138.02 39.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.401 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.0 t -94.36 140.07 30.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.382 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -140.05 157.13 46.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -110.3 141.3 43.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.172 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.52 139.19 32.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.853 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -169.55 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.192 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -62.69 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.039 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.01 -7.09 52.17 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 121.45 -0.405 . . . . 0.0 113.289 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.04 118.23 26.29 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.94 0.87 . . . . 0.0 110.099 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -113.39 134.96 54.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.39 . . . . 0.0 110.759 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -143.21 161.81 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -131.08 125.37 33.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.394 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -114.26 131.81 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -124.44 143.91 50.37 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -132.16 127.47 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.22 0.325 . . . . 0.0 110.547 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -121.76 137.64 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.75 135.14 7.52 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.749 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.524 HD13 ' H ' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.31 133.6 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.268 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -140.21 159.24 42.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.029 0.442 . . . . 0.0 111.467 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.69 150.59 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.482 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.86 156.7 28.27 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 119.535 -1.317 . . . . 0.0 114.247 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.36 163.37 34.67 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.656 2.237 . . . . 0.0 113.321 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.563 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -128.45 155.05 45.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.193 178.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.09 130.15 53.0 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -110.16 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 74' ' ' ASN . 43.4 mm -120.85 163.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' N ' HG22 ' A' ' 73' ' ' ILE . 26.6 m120 -47.37 -32.81 5.22 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.41 138.99 47.54 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -51.38 -32.61 26.59 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.6 140.33 58.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -124.08 151.1 44.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.563 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.1 mt -124.98 151.6 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 40' ' ' ILE . 43.5 p90 -148.15 158.66 44.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.388 175.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.63 145.66 17.12 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.76 157.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.396 0.598 . . . . 0.0 111.723 -171.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG22 ' HD2' ' A' ' 109' ' ' TYR . 42.0 t -131.96 153.63 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.8 178.86 37.5 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.184 -1.007 . . . . 0.0 112.091 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.61 144.72 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.59 150.9 19.8 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.801 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -123.73 135.03 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -123.05 132.84 8.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -138.08 137.57 37.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -138.81 156.07 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -101.01 124.99 47.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.471 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -145.02 173.01 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -98.76 152.66 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -174.68 149.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.431 -0.507 . . . . 0.0 111.229 -171.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -80.53 147.56 63.84 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -55.27 134.75 65.64 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 120.732 0.955 . . . . 0.0 112.342 -162.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 98' ' ' TYR . 33.0 m -118.27 157.33 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.633 -175.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' N ' HG22 ' A' ' 97' ' ' THR . 89.8 m-85 -96.61 153.81 17.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -71.89 137.6 47.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.314 0.578 . . . . 0.0 111.621 -170.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -166.54 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.814 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -151.37 81.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.9 t -70.76 -37.11 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.6 m -114.95 154.47 28.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.768 0.318 . . . . 0.0 110.638 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -95.99 136.12 36.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.386 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -116.89 140.27 49.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.561 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.61 156.12 24.55 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.469 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.13 144.18 43.09 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -130.54 144.56 51.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.685 0.279 . . . . 0.0 111.378 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.475 ' HD2' HG22 ' A' ' 83' ' ' VAL . 40.1 t80 -142.14 144.55 33.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.419 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.22 179.33 43.89 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.35 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.86 159.14 42.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.26 158.33 27.44 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.688 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.82 139.84 53.58 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -112.69 131.78 55.49 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.117 0.261 . . . . 0.0 110.308 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -122.88 137.41 54.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.588 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -142.54 84.46 11.07 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.395 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.92 79.54 3.35 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.468 1.445 . . . . 0.0 112.492 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 91.3 mmm 51.52 32.55 9.03 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.703 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -124.02 152.78 42.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.83 7.72 9.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.8 t -123.44 137.81 55.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.85 145.08 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.393 -177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 123' ' ' LEU . 5.6 mp -111.34 140.56 45.81 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -125.41 126.98 45.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.43 132.57 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -135.77 149.34 49.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.128 0.49 . . . . 0.0 111.61 -176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.89 118.85 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -118.99 134.69 55.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.029 0.443 . . . . 0.0 111.287 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.81 135.16 52.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -131.22 145.37 51.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -117.97 122.23 42.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.578 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 75.0 mt -127.41 94.77 2.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 15.11 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 p 74.75 -9.92 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 171.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.4 t -103.45 134.57 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 118.485 0.584 . . . . 0.0 109.663 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -103.95 127.65 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.779 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.2 t -121.02 133.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 124.49 5.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.526 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.2 m -123.22 137.29 54.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.051 0.453 . . . . 0.0 111.305 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 -108.38 122.13 46.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.368 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.485 HG12 ' HB2' ' A' ' 10' ' ' ALA . 69.4 mt -116.2 128.69 73.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 -176.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.47 138.74 34.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.096 174.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.71 -178.03 35.28 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.674 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.64 ' C ' HG23 ' A' ' 6' ' ' THR . 35.5 m -137.63 153.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.9 165.8 28.02 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.837 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -133.15 143.2 49.07 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.494 ' NH2' HG21 ' A' ' 2' ' ' THR . 66.9 ttt180 -99.32 139.32 35.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -177.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.986 178.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.2 m -122.54 140.89 52.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -129.49 151.81 49.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.438 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.7 m -131.0 133.17 45.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.359 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.61 132.61 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -141.05 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.924 0.392 . . . . 0.0 111.339 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.87 151.0 23.0 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.95 170.05 32.55 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.888 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -125.17 144.17 50.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.246 -0.477 . . . . 0.0 109.817 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.16 146.54 40.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.169 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -114.18 140.1 48.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.361 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 m -118.79 140.34 50.11 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.957 -174.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -113.14 138.49 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.238 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -107.73 107.95 18.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.208 0.528 . . . . 0.0 110.222 -175.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -82.97 121.83 27.51 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.922 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -14.58 60.89 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.73 -175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.601 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 58.0 tp60 -116.59 141.33 48.33 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 117.602 0.701 . . . . 0.0 109.431 170.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.3 mtm -91.59 97.81 11.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.35 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -177.6 152.97 0.84 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 111.37 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -124.82 143.68 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.9 mtm -132.41 158.65 41.45 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.219 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.0 136.39 7.51 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.72 168.03 29.27 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.601 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.56 153.51 40.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.626 ' C ' HD22 ' A' ' 26' ' ' LEU . 58.8 t30 -131.55 138.67 49.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.197 -175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 135.87 54.66 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -134.23 139.17 45.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.047 0.451 . . . . 0.0 111.48 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.96 136.37 54.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.963 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -138.04 140.21 39.97 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.407 0.442 . . . . 0.0 111.072 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -131.11 142.03 50.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.823 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -131.15 147.71 52.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -93.28 141.37 28.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.545 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.17 -45.14 77.87 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -103.85 -13.32 16.44 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 p -147.11 75.54 11.61 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.1 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 120.874 1.049 . . . . 0.0 113.418 -168.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.0 tp -126.26 135.1 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.03 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.778 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.95 116.82 5.23 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -175.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.89 130.69 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.596 HD11 ' CG1' ' A' ' 82' ' ' VAL . 41.9 pt -130.34 144.6 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.08 130.01 5.93 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -126.82 137.17 53.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 111.364 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -117.26 126.75 53.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -122.76 143.38 49.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.581 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -131.69 128.5 39.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.475 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.9 m -129.13 145.93 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.99 154.36 46.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.114 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -95.2 138.1 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.292 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.3 t -102.77 129.59 49.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.387 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.13 157.1 46.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -69.14 136.03 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.222 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 134.91 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.801 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 t -137.96 141.25 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.358 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -68.04 145.46 54.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.694 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.48 -7.04 20.5 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.44 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -123.07 111.52 16.65 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 118.125 0.962 . . . . 0.0 110.662 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -133.44 128.52 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.64 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -148.51 154.86 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -131.12 125.4 33.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -120.69 128.31 52.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.839 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -129.43 143.86 51.01 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.758 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -134.44 131.5 38.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.343 0.402 . . . . 0.0 110.415 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -128.98 143.52 50.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.86 137.2 8.28 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.668 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -116.14 127.56 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HA3' ' A' ' 84' ' ' GLY . 82.1 p -130.76 160.54 34.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.044 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.55 157.79 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.571 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.01 163.02 30.36 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.469 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.37 163.32 34.74 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.758 2.305 . . . . 0.0 113.627 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.778 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -135.73 151.75 50.47 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.18 130.27 53.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.607 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -94.52 112.98 24.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.3 tt -128.89 140.01 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -55.11 -38.2 67.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.221 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.78 136.73 54.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.59 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 91.0 m95 61.08 -84.33 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 76' ' ' TRP . . . -178.63 -98.34 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -124.25 150.93 44.77 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.995 0.816 . . . . 0.0 109.771 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.467 HD12 HD21 ' A' ' 113' ' ' LEU . 16.0 tt -132.15 151.71 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -145.82 153.24 40.67 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.064 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -137.06 145.7 17.53 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.596 ' CG1' HD11 ' A' ' 40' ' ' ILE . 34.7 m -141.06 157.63 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.065 0.459 . . . . 0.0 111.693 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.5 153.72 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 172.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -166.18 -176.05 37.08 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.944 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.78 143.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.03 154.56 21.22 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.307 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -125.87 145.48 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.7 140.23 11.59 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -128.47 132.89 48.4 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -118.83 139.27 51.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.265 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -97.85 119.86 37.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 110.801 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.8 t -145.2 167.24 23.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 t -98.93 125.82 44.45 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -154.96 149.33 26.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -80.48 136.9 51.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 171.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.63 134.34 63.39 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 CA-C-N 119.75 0.946 . . . . 0.0 112.9 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 98' ' ' TYR . 44.8 m -118.54 157.16 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.601 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 97' ' ' THR . 71.9 t80 -96.72 121.68 38.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -114.39 156.07 25.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.173 -176.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -57.99 -41.1 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.197 173.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -143.15 154.37 43.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.2 m -66.42 -39.86 89.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.8 m -123.08 162.03 23.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 -176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.92 146.37 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -134.04 156.85 47.49 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.163 0.506 . . . . 0.0 111.635 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -147.25 168.79 28.32 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -113.16 145.53 40.8 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.6 t -134.06 144.14 48.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.269 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -146.51 151.31 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.027 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.13 47.82 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.975 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -145.62 154.65 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.27 166.65 28.06 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.763 -176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.467 HD21 HD12 ' A' ' 79' ' ' ILE . 73.5 mt -130.4 155.05 47.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -123.81 141.36 52.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.719 0.295 . . . . 0.0 110.805 178.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.1 158.98 40.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.112 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 t30 70.28 66.12 0.44 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.677 -178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -90.13 -24.65 0.54 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.809 1.673 . . . . 0.0 113.055 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.3 mtp -56.4 -35.81 68.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.564 0.221 . . . . 0.0 111.329 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -93.77 174.09 7.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.659 0.266 . . . . 0.0 110.299 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -80.97 3.09 24.13 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.02 133.73 68.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.54 153.89 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.436 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 123' ' ' LEU . 5.6 mp -112.3 142.06 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -131.13 139.71 49.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.449 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -141.33 144.61 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.91 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.6 t -143.19 152.58 41.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 111.049 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -105.8 114.91 29.35 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -114.19 138.07 50.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -174.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -133.2 140.84 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.755 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -133.57 147.43 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 111.011 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -117.08 120.09 37.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.555 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.3 mt -127.46 94.83 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 16.49 95.09 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -165.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.4 p 73.35 -8.57 1.31 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -104.34 132.35 51.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.659 0.663 . . . . 0.0 109.335 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -103.94 122.43 45.18 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.632 -177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.6 t -113.82 132.76 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 125.74 6.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.561 HG22 ' HB1' ' A' ' 10' ' ' ALA . 39.1 m -128.76 133.85 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.257 -176.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -109.84 128.78 55.55 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.6 tt -126.25 137.12 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 111.132 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -138.65 144.69 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.714 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.89 -177.94 33.44 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.65 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.26 147.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.03 164.16 26.52 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.633 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -136.46 143.2 43.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -118.3 143.98 46.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 111.08 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.884 179.685 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.2 p -122.62 141.14 52.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.378 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -127.64 141.97 51.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.0 m -128.53 133.16 48.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.138 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.26 134.45 66.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.611 HG23 ' C ' ' A' ' 144' ' ' VAL . 3.8 m -134.03 147.4 50.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 150.89 20.46 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.35 170.19 34.46 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.236 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -121.38 143.57 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.14 149.83 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 111.321 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -117.36 140.12 49.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.441 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -116.81 131.13 57.03 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.806 -174.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -108.8 139.04 44.18 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -119.34 107.99 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 110.747 -173.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -84.67 121.82 28.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.741 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.37 -14.69 58.84 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.663 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.653 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.46 147.67 41.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 117.664 0.732 . . . . 0.0 109.27 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 93.1 mmm -89.58 164.92 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.966 0.412 . . . . 0.0 111.107 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 68.0 116.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.342 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -80.62 162.23 24.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.041 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.416 ' HB3' HG22 ' A' ' 46' ' ' THR . 80.4 mtp -133.18 164.02 27.98 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.745 -173.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.84 142.61 13.81 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.58 167.06 28.67 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.39 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.99 150.1 41.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.131 -0.534 . . . . 0.0 109.631 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.49 136.97 53.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.816 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD13 ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -122.86 135.99 54.71 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' HD13 ' A' ' 26' ' ' LEU . 49.8 tttm -129.7 135.77 48.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 111.753 -171.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -126.34 137.83 53.51 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.996 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -136.33 140.08 43.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -126.57 141.7 51.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.455 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -131.93 146.63 52.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.27 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -89.3 146.07 24.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.144 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -71.62 -45.22 62.74 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -104.29 -13.29 16.21 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -147.23 76.73 11.07 Favored Pre-proline 0 C--O 1.234 0.263 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.5 134.4 28.43 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 120.709 0.939 . . . . 0.0 113.197 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -126.35 134.93 50.94 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 170.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' N ' HD13 ' A' ' 37' ' ' LEU . . . -92.86 116.72 5.19 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 119.751 -1.214 . . . . 0.0 110.207 -174.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.69 130.74 73.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 80' ' ' TYR . 47.3 pt -129.66 142.76 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.78 129.98 7.26 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -127.99 137.03 52.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 111.527 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.49 127.97 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.9 m -120.13 133.09 55.6 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.5 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -122.08 122.79 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 21' ' ' MET . 58.7 m -125.4 139.44 53.66 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.43 0.456 . . . . 0.0 110.315 -177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -156.9 156.16 32.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -139.18 134.16 32.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 110.108 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.9 t -110.43 144.1 39.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -122.35 149.1 44.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.9 p -79.53 148.08 31.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.644 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.93 143.89 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.767 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 p -173.67 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.262 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.9 m -58.6 -33.02 69.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.493 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.05 -7.08 52.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 119.863 -0.409 . . . . 0.0 113.193 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.62 114.61 26.98 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 117.974 0.887 . . . . 0.0 109.848 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -114.99 119.91 38.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.796 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -138.88 157.47 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.214 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -120.69 128.53 53.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.897 0.379 . . . . 0.0 110.776 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -120.76 122.93 41.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.93 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -149.43 158.35 44.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.011 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -149.45 155.59 40.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.214 0.53 . . . . 0.0 111.703 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.41 143.7 51.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.199 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.93 135.46 8.49 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.0 mt -116.26 125.83 73.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -140.13 160.02 40.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.026 0.441 . . . . 0.0 111.578 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.46 154.63 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.359 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -153.56 140.39 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 120.099 -1.048 . . . . 0.0 112.902 -177.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.42 163.09 35.04 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 CA-C-N 119.697 1.749 . . . . 0.0 111.595 166.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -143.87 152.78 41.59 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.166 178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.505 ' HD2' HD11 ' A' ' 73' ' ' ILE . 64.2 t80 -122.02 130.15 53.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.613 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -111.62 137.07 49.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.505 HD11 ' HD2' ' A' ' 71' ' ' TYR . 4.9 mp -122.62 139.32 49.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.783 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -60.04 -44.29 94.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.867 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' OD1' HG22 ' A' ' 73' ' ' ILE . 24.9 p-10 -93.39 -31.0 14.8 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -104.94 150.51 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 114' ' ' GLN . . . -55.91 -177.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.52 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.58 ' O ' HD12 ' A' ' 113' ' ' LEU . 88.3 p -106.98 151.01 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.04 151.63 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 40' ' ' ILE . 49.2 p90 -148.0 157.42 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.885 176.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -134.04 145.66 17.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.514 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.2 m -136.14 151.6 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 111.416 -172.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.85 153.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.54 39.18 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.028 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.1 t -129.99 139.88 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.37 137.54 10.71 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.04 138.55 52.62 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.66 153.15 19.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -136.56 141.18 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.501 -0.35 . . . . 0.0 110.592 -176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -108.87 138.48 45.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.849 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -104.29 125.25 50.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.943 0.401 . . . . 0.0 110.901 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.0 t -145.08 173.0 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.459 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.0 m -98.89 125.92 44.42 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 178.98 149.33 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.753 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -80.45 147.07 62.94 Favored Pre-proline 0 C--N 1.33 -0.242 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -55.92 134.45 64.19 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 120.619 0.879 . . . . 0.0 112.98 -165.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.8 m -118.5 154.09 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.246 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -107.16 121.56 44.75 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.268 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -114.42 149.78 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.896 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -55.87 -45.28 78.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.841 0.353 . . . . 0.0 110.537 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -103.78 110.51 22.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.021 176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -61.41 -43.84 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.414 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.1 p -131.14 169.02 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.226 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -95.93 132.72 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -134.66 155.53 50.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.122 0.487 . . . . 0.0 112.144 -175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.53 171.7 30.35 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.04 143.57 44.09 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.2 m -131.98 146.68 52.24 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.23 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -147.24 151.34 36.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.929 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -174.75 -178.33 44.55 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.847 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.03 157.91 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.24 161.61 28.5 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.82 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 78' ' ' SER . 14.6 tp -127.48 138.3 52.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.15 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.62 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 63.2 tt0 -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -133.11 159.28 40.56 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.396 -175.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 72.89 65.68 0.33 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.629 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -91.66 -22.59 0.5 Allowed 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.912 1.741 . . . . 0.0 113.279 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.7 mtm -55.01 -36.04 65.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.618 0.247 . . . . 0.0 111.318 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -91.01 177.0 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -80.9 7.21 11.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.6 p -134.39 141.76 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 O-C-N 122.079 -0.388 . . . . 0.0 110.074 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.04 157.01 47.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.114 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.6 mt -116.05 146.07 42.48 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -123.57 126.93 47.54 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.141 0.275 . . . . 0.0 110.296 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -119.82 126.3 50.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.301 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -143.06 146.19 33.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -117.28 121.36 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.685 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.97 136.92 54.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.929 0.395 . . . . 0.0 110.969 -176.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -125.27 145.02 50.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.4 t -137.66 146.39 43.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 111.085 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -118.37 121.28 39.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.492 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 135' ' ' VAL . 14.0 tt -127.56 95.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 17.05 95.16 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -165.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t 74.2 -8.67 1.4 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 169.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.549 ' HB ' HG23 ' A' ' 132' ' ' ILE . 46.0 t -105.63 135.29 44.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 118.573 0.624 . . . . 0.0 109.37 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.0 127.46 51.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.49 128.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.17 127.2 6.86 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 59.4 p -125.74 144.07 50.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.155 0.503 . . . . 0.0 111.15 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -118.11 121.96 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.45 136.96 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 111.197 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.18 143.65 34.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.52 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -156.81 -177.98 30.46 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.232 -0.985 . . . . 0.0 112.207 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.611 ' C ' HG23 ' A' ' 6' ' ' THR . 11.2 p -136.8 149.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 160.73 26.73 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.627 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -128.33 143.09 50.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.387 -0.406 . . . . 0.0 109.967 -177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -108.27 135.74 49.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.411 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.5 m -121.52 139.8 53.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -125.24 149.14 48.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.13 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HD3' ' A' ' 147' ' ' ARG . 26.7 m -127.18 133.14 50.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.104 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.07 134.02 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 t -141.03 156.32 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.054 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 151.03 21.88 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.97 31.47 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.106 -1.045 . . . . 0.0 112.286 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -117.84 143.31 46.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.19 144.28 38.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 111.203 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -121.8 140.09 52.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.293 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.1 p -125.39 147.17 49.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 -175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -130.0 139.09 51.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.213 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.35 107.8 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.448 0.642 . . . . 0.0 110.078 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.36 121.91 18.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.936 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.75 -14.69 64.42 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.607 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -116.51 158.25 23.91 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 117.773 0.786 . . . . 0.0 109.961 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.0 mtt -102.06 97.94 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -175.92 152.51 1.23 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.971 0.415 . . . . 0.0 111.705 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.4 145.67 49.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.721 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.8 mtp -135.08 158.47 44.28 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.662 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' HG23 ' A' ' 46' ' ' THR . . . -137.44 138.79 9.96 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.9 168.05 28.78 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.202 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.56 150.55 41.49 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.632 ' C ' HD22 ' A' ' 26' ' ' LEU . 6.8 p30 -132.62 140.17 48.09 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.116 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 25' ' ' ASN . 4.5 mm? -122.9 136.5 54.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -129.57 144.8 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.199 0.523 . . . . 0.0 111.836 -174.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -124.48 138.99 54.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.962 174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -138.02 140.1 39.96 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 123.212 0.32 . . . . 0.0 111.523 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -122.62 142.0 51.12 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -134.0 148.07 51.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.299 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -102.06 141.03 35.54 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.303 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.13 -45.22 77.8 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -104.08 -13.39 16.28 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.22 72.9 12.05 Favored Pre-proline 0 C--O 1.235 0.319 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.06 134.48 19.59 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 120.908 1.072 . . . . 0.0 113.414 -170.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 37' ' ' LEU . 8.7 tt -126.12 127.35 45.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 169.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.09 116.93 5.27 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 119.948 -1.12 . . . . 0.0 110.416 -172.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.36 130.68 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -125.23 130.99 72.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.581 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.8 129.84 8.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -128.1 137.1 52.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 111.328 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -116.51 128.79 55.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -119.64 133.54 55.6 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.999 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -120.39 122.82 41.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.524 -0.762 . . . . 0.0 108.956 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.548 HG23 ' C ' ' A' ' 22' ' ' GLY . 5.3 m -127.56 144.61 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -133.38 161.55 34.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.415 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -132.61 133.45 43.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.297 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -119.91 140.91 50.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -140.0 139.73 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.8 m -124.87 130.23 51.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.894 0.378 . . . . 0.0 110.384 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.35 48.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -60.66 -36.47 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.04 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -60.55 -36.29 78.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.662 0.267 . . . . 0.0 111.203 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.07 7.58 58.41 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.296 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -85.23 118.61 24.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 117.982 0.891 . . . . 0.0 110.45 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -137.41 152.09 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -134.13 169.24 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.413 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -105.93 127.17 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 0.0 111.026 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -123.28 132.64 54.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.88 176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -129.19 143.99 51.05 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.723 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -134.29 132.93 40.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.074 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -132.88 138.14 46.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.31 137.15 8.87 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.973 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.19 126.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.15 159.22 42.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.063 0.459 . . . . 0.0 111.74 -178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.61 152.58 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.433 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -152.51 139.4 6.98 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.803 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -75.46 163.19 34.77 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 CA-C-N 119.826 1.813 . . . . 0.0 111.949 168.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -139.11 151.56 46.78 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.438 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -122.18 115.29 22.15 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -114.33 119.55 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.518 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 74' ' ' ASN . 14.5 tt -177.25 -60.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 123.521 0.513 . . . . 0.0 111.683 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 73' ' ' ILE . 87.1 m-20 -103.33 154.57 19.23 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 118.688 0.676 . . . . 0.0 111.483 -174.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 58.94 36.71 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.685 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 57.67 -85.45 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.95 165.36 0.11 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.129 0.49 . . . . 0.0 111.758 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.5 m -113.29 151.22 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.653 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 pt -124.92 151.8 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -148.03 159.14 44.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.085 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.87 145.57 17.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.79 151.79 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 111.406 -172.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -140.03 153.76 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.94 -177.39 38.66 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.888 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.35 139.44 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.84 143.66 14.48 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -124.92 143.97 50.59 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.34 141.37 12.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -136.94 141.09 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -131.39 156.11 46.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 0.0 110.776 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -102.08 124.69 48.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 t -144.4 172.14 13.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -98.85 132.25 44.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -158.42 149.28 20.5 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.247 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -80.56 147.49 63.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.22 134.67 65.1 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 120.726 0.951 . . . . 0.0 112.315 -163.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -118.45 157.58 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.925 -175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -96.54 136.9 36.41 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.03 138.51 47.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.472 0.653 . . . . 0.0 112.195 -168.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -158.97 -43.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.801 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -139.07 60.8 1.58 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.605 0.717 . . . . 0.0 109.594 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -56.14 -40.64 74.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.262 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.5 m -120.52 151.63 39.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.734 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -98.26 144.81 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -135.99 157.6 46.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 111.425 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.6 175.13 32.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.05 143.92 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -176.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.9 p -134.05 149.06 51.13 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -154.45 162.38 41.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.457 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.09 -175.57 47.55 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.06 157.33 46.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.25 159.23 27.92 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.686 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.04 136.96 48.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -110.22 133.98 52.69 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.513 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -122.98 134.98 54.31 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -129.24 88.0 52.21 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.049 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.31 -165.81 0.35 Allowed 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.339 1.359 . . . . 0.0 111.806 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.4 mtt -55.27 -35.07 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.237 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.21 152.86 7.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.875 0.369 . . . . 0.0 110.796 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.96 12.08 3.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 p -128.15 144.94 36.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.133 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.97 152.24 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.169 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.535 HD23 HG12 ' A' ' 144' ' ' VAL . 75.3 mt -111.67 141.69 44.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.206 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -120.32 126.91 51.7 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -123.38 129.6 51.52 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.0 m -143.05 153.68 43.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.366 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -114.13 124.87 53.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.359 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -121.6 135.19 55.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.022 0.439 . . . . 0.0 111.401 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -128.37 144.71 51.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.489 174.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -138.07 140.3 39.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.369 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -119.27 129.61 55.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.683 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 69.9 mt -127.1 112.14 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -45.09 95.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.135 0.897 . . . . 0.0 112.578 -158.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 m 148.13 -53.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 125.671 1.857 . . . . 0.0 109.288 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.46 139.12 33.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.605 -169.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -104.02 118.89 37.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.804 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.3 t -110.64 133.95 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 O-C-N 122.271 -0.268 . . . . 0.0 110.411 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.06 132.77 9.3 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.009 -1.237 . . . . 0.0 110.009 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.485 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 33.3 m -132.87 136.75 46.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.894 0.347 . . . . 0.0 111.103 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -106.96 126.29 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.615 HD11 ' ND2' ' A' ' 25' ' ' ASN . 18.1 tt -128.06 135.06 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.058 0.456 . . . . 0.0 111.083 -175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.04 147.06 34.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.815 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -158.72 -177.96 32.29 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.13 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.535 HG12 HD23 ' A' ' 123' ' ' LEU . 34.8 m -133.85 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.98 162.11 26.75 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.818 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -129.9 143.23 50.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.525 -0.337 . . . . 0.0 110.242 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.406 ' HD3' HG23 ' A' ' 4' ' ' THR . 27.5 mmt85 -94.7 139.32 31.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.16 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.598 178.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.539 HG21 ' HD2' ' A' ' 147' ' ' ARG . 35.9 m -122.7 141.04 52.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.362 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.26 145.38 49.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.403 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -130.06 133.27 46.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -123.24 132.34 71.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.767 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.0 p -136.16 161.68 35.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.026 0.441 . . . . 0.0 110.593 -177.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 150.85 23.06 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 174.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.8 170.15 34.15 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.231 -176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -120.54 143.95 48.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 141' ' ' ILE . . . -139.2 150.61 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.09 140.12 50.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.538 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.0 p -124.28 145.71 49.22 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.138 -174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -128.07 139.06 52.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.098 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -108.03 107.91 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 110.466 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -73.24 121.88 21.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.915 175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.94 -14.62 64.78 Favored Glycine 0 CA--C 1.536 1.389 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.84 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -116.59 154.69 30.03 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 117.706 0.753 . . . . 0.0 109.755 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.4 mtm -101.99 97.86 8.14 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.858 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 14' ' ' ALA . 48.7 p-10 -175.23 151.38 1.27 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.286 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -135.12 137.56 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.457 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.2 mtm -128.85 149.66 50.66 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.297 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.52 131.46 6.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.654 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -147.04 168.36 28.24 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.264 -174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -120.98 152.51 38.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -136.07 141.86 44.28 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.193 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.7 mt -128.66 135.91 49.93 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CD ' HD11 ' A' ' 40' ' ' ILE . 50.4 pttt -146.07 158.02 43.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.371 0.605 . . . . 0.0 112.444 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -131.94 139.36 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.619 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -125.08 140.08 53.21 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.322 0.389 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -123.33 140.79 52.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -131.98 148.13 52.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.139 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -89.3 142.04 28.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.33 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -67.47 -45.05 77.07 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -173.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -104.13 -13.32 16.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 p -147.21 73.02 12.05 Favored Pre-proline 0 C--O 1.235 0.303 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -68.51 134.5 30.92 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 120.873 1.048 . . . . 0.0 113.228 -169.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.25 135.08 51.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 168.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.726 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -93.99 116.83 5.34 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.42 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -127.87 130.65 70.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 ' CD ' ' A' ' 27' ' ' LYS . 10.0 tt -135.71 140.38 44.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.96 131.35 8.42 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 m -127.87 137.2 52.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.538 0.209 . . . . 0.0 111.114 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HD1' ' HH ' ' A' ' 63' ' ' TYR . 96.2 m-85 -119.18 127.23 53.11 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 176.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.4 m -124.06 140.88 52.55 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.89 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -131.58 130.15 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.654 HG22 ' HA3' ' A' ' 23' ' ' GLY . 66.0 p -122.23 148.95 44.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.386 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -128.86 166.48 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.754 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -86.96 136.98 32.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.263 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.4 t -99.05 146.7 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.89 134.83 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.647 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.6 m -131.94 148.02 52.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.86 126.5 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.007 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 p -155.81 -174.8 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.7 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 p -81.21 17.91 1.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.06 -5.57 50.13 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-O 119.71 -0.494 . . . . 0.0 113.439 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.86 112.05 23.73 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.055 0.927 . . . . 0.0 110.357 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -133.17 134.29 43.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -116.11 130.21 56.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.359 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -85.47 125.65 33.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -127.98 126.17 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -124.46 143.94 50.36 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.03 144.45 32.28 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.32 0.388 . . . . 0.0 111.02 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.484 ' HH ' ' HD1' ' A' ' 43' ' ' PHE . 64.3 t80 -136.12 140.18 43.5 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.5 137.16 8.54 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.047 -174.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.8 mt -116.05 130.14 71.26 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -140.05 159.96 41.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.213 0.53 . . . . 0.0 111.774 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.97 149.93 31.1 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.11 142.25 9.51 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.087 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.45 163.19 34.82 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.802 1.668 . . . . 0.0 111.582 166.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.726 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -133.69 155.13 50.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.625 177.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -118.68 125.1 48.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.992 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -114.22 138.16 50.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.791 0.682 . . . . 0.0 110.267 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.4 mt 80.13 -29.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.594 0.758 . . . . 0.0 112.652 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -53.81 -37.06 63.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.255 0.48 . . . . 0.0 111.205 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -145.5 176.96 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.306 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -58.41 141.13 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.148 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 56.67 -173.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.292 -177.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -111.21 146.99 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -124.95 151.67 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.68 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 22.8 m-85 -135.48 149.3 49.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.86 145.39 17.37 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.439 HG12 ' HA3' ' A' ' 68' ' ' GLY . 32.9 m -137.85 152.01 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 112.146 -169.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG22 ' HD1' ' A' ' 109' ' ' TYR . 60.5 t -131.52 153.65 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.03 -178.56 40.52 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 119.796 -1.192 . . . . 0.0 112.122 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.5 p -134.55 139.55 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.11 145.53 16.69 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -128.05 147.01 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.26 160.09 27.18 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.113 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -134.36 137.92 44.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.922 -0.639 . . . . 0.0 110.122 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -121.43 156.05 33.55 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.537 0.523 . . . . 0.0 110.585 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -90.11 120.64 31.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.613 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.7 m -136.23 154.93 50.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.598 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.5 m -98.92 125.87 44.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -179.76 149.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 -172.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -80.42 142.77 54.55 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -56.03 134.47 64.31 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 120.8 1.0 . . . . 0.0 113.014 -165.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 98' ' ' TYR . 50.0 m -118.48 156.37 29.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.354 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' N ' HG22 ' A' ' 97' ' ' THR . 58.3 t80 -97.03 121.64 39.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.697 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -114.33 148.33 37.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.932 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -58.2 -41.14 83.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.246 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -128.64 125.85 38.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.907 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.1 p -68.17 -30.64 69.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.112 -176.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -115.86 160.78 19.71 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.973 0.416 . . . . 0.0 111.108 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -95.98 135.23 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.528 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -121.13 154.4 36.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 111.896 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.29 168.48 25.76 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.273 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 83' ' ' VAL . 76.7 t80 -109.67 138.65 45.73 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.7 p -130.74 145.99 52.09 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.653 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.581 ' HD1' HG22 ' A' ' 83' ' ' VAL . 93.8 t80 -146.46 151.2 37.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.736 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.34 -178.68 43.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.984 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.21 158.53 43.98 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.42 165.26 29.94 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.827 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.4 mt -128.9 149.96 50.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -116.67 137.26 52.32 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.183 0.302 . . . . 0.0 110.542 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -122.94 136.79 54.99 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -121.69 90.82 48.4 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.919 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.24 -167.91 0.55 Allowed 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.454 1.436 . . . . 0.0 112.002 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 86.2 mtp -56.88 -37.79 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.003 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.67 153.66 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.552 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 43.3 p-10 -80.79 12.0 3.51 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -115.21 145.69 20.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.78 149.83 36.33 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.61 138.29 50.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.885 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -127.75 137.15 52.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -136.31 141.66 43.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.5 m -143.06 154.65 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.387 . . . . 0.0 111.024 -177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -112.82 117.9 33.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -114.24 134.34 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.25 133.43 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.596 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m -126.23 137.83 53.57 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.27 130.07 55.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.202 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 85.4 mt -127.25 110.03 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 168.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -45.15 95.14 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.227 0.954 . . . . 0.0 112.657 -158.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.0 m 150.52 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 125.389 1.681 . . . . 0.0 109.016 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 p -109.45 137.26 42.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.309 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -104.16 119.35 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.945 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.2 132.41 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.36 -177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.15 132.95 9.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.47 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -133.45 139.19 46.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -106.06 131.69 53.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.601 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 10' ' ' ALA . 70.2 mt -121.04 131.31 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.769 0.318 . . . . 0.0 110.54 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -142.6 139.19 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.962 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -161.63 -177.95 35.14 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.522 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.47 155.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.767 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.06 157.02 25.84 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.695 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -131.67 142.43 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.539 ' HD2' HG21 ' A' ' 2' ' ' THR . 24.8 ttp-105 -119.9 137.76 53.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.596 179.729 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 m -122.51 140.33 52.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -131.15 147.93 52.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.352 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -130.91 133.22 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.88 128.0 68.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -136.11 146.47 47.02 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.329 0.393 . . . . 0.0 110.77 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.68 150.79 22.54 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 174.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.8 170.03 33.59 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.906 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -121.46 144.1 48.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.066 -0.567 . . . . 0.0 109.762 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 139' ' ' THR . . . -139.2 147.43 41.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.061 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.42 140.05 53.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -121.2 138.48 54.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.94 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -115.89 139.05 50.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.286 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 17' ' ' GLN . . . -105.34 107.95 19.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.362 0.601 . . . . 0.0 110.156 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -82.87 121.92 27.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.007 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.24 -14.6 57.2 Favored Glycine 0 CA--C 1.536 1.364 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.738 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.637 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 51.0 tt0 -116.42 144.85 43.77 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.598 0.699 . . . . 0.0 109.622 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.2 mtt -90.93 97.82 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.066 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -176.85 147.3 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.989 0.423 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -134.91 146.7 49.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.931 174.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 93.5 mmm -131.79 147.5 52.49 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.08 -176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.97 131.59 6.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -149.9 168.26 29.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.465 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -130.09 156.4 44.59 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' HD11 ' A' ' 141' ' ' ILE . 16.7 p30 -144.02 150.19 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.374 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -126.65 138.92 53.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.552 177.097 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.93 141.07 51.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 -175.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.98 139.09 54.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.559 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HG2' HG22 ' A' ' 40' ' ' ILE . 76.9 mtp180 -134.78 140.28 45.77 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.911 0.386 . . . . 0.0 111.795 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -124.08 136.51 54.29 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.56 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -134.06 148.14 51.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.031 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -100.39 144.48 29.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.289 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -67.6 -45.12 76.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -100.76 -13.23 18.54 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -147.1 74.89 11.84 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.48 134.59 33.66 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 120.867 1.045 . . . . 0.0 112.9 -170.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -126.22 132.32 51.77 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 172.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.759 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.79 116.84 5.21 Favored Glycine 0 C--N 1.333 0.398 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 -175.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.84 130.88 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.764 HD11 HG12 ' A' ' 82' ' ' VAL . 2.6 pp -125.74 131.99 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.975 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.83 129.71 7.37 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 171.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -128.26 137.1 51.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 111.26 -176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.9 125.41 54.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.5 m -118.57 135.43 54.43 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.763 -175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -123.49 123.53 40.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 p -123.22 142.65 50.7 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.466 0.479 . . . . 0.0 110.241 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.6 147.52 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.18 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -92.57 136.4 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.207 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.0 p -112.92 142.79 45.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.918 0.389 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -139.99 141.6 36.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.159 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.9 m -70.07 135.22 49.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.299 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.32 135.9 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -169.49 -66.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.364 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.7 p -63.09 -29.49 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.35 -2.63 54.12 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.384 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -77.26 138.46 39.41 Favored 'General case' 0 CA--C 1.527 0.068 0 CA-C-N 118.062 0.931 . . . . 0.0 110.425 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -116.09 127.36 54.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.863 0.363 . . . . 0.0 110.709 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -114.14 131.09 56.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.231 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -108.4 105.34 14.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.639 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -128.04 128.67 45.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -135.13 143.98 46.85 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.856 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -131.02 136.69 48.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.509 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -124.11 139.95 53.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.38 130.8 6.14 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.64 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.7 mm -116.27 127.97 73.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -140.05 159.98 40.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.154 0.502 . . . . 0.0 111.853 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.01 150.36 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.187 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.3 139.72 7.23 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.681 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.35 163.08 35.25 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 CA-C-N 119.847 1.823 . . . . 0.0 111.223 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.759 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -140.57 149.83 42.89 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.599 177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -122.16 130.06 52.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.069 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -114.01 107.94 16.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.249 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.7 mt -70.18 -49.76 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -136.02 -172.8 3.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.439 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -48.74 -31.81 7.53 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.725 ' CE3' ' HB2' ' A' ' 77' ' ' ALA . 45.2 p-90 -129.94 178.04 6.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.894 0.378 . . . . 0.0 110.537 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . . . 61.64 92.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.002 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.4 p -123.97 151.18 43.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.721 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.3 pt -128.26 151.88 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -144.3 159.02 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.97 145.7 17.67 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.764 HG12 HD11 ' A' ' 40' ' ' ILE . 33.2 m -134.75 148.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 117.253 0.526 . . . . 0.0 111.735 -170.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 109' ' ' TYR . 33.5 m -134.7 153.84 35.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 170.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.07 -179.8 40.81 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.006 -1.092 . . . . 0.0 112.197 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 87' ' ' TYR . 44.5 t -127.46 138.04 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.05 133.64 10.03 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' CZ ' HG11 ' A' ' 85' ' ' VAL . 93.3 m-85 -122.57 138.11 54.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.19 146.95 18.88 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -138.85 135.93 35.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.412 -0.394 . . . . 0.0 109.949 178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -133.93 156.03 48.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.4 0.437 . . . . 0.0 109.999 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -106.2 119.75 40.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.18 0.514 . . . . 0.0 111.482 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.0 p -145.06 170.83 15.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.224 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.6 p -98.95 125.48 44.4 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.043 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 173.62 149.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.239 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -81.01 114.74 51.08 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 171.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.53 134.55 18.81 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.085 1.19 . . . . 0.0 113.492 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -118.34 120.82 38.75 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -161.27 162.01 30.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.957 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -100.84 155.13 18.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 81.1 t60 66.15 -82.72 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.611 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -139.53 156.23 47.03 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 118.138 0.426 . . . . 0.0 111.359 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.7 m -60.94 -40.0 91.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.325 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.94 155.27 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.672 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -102.03 143.4 31.93 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -136.09 154.96 50.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 111.666 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.47 170.96 29.67 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.06 144.56 42.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.365 0.082 . . . . 0.0 110.799 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -128.43 142.63 51.04 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.249 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.574 ' CD2' HG12 ' A' ' 83' ' ' VAL . 80.6 m-85 -136.53 145.59 45.23 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.471 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.62 179.87 42.39 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.329 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.58 157.11 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.52 159.23 27.96 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.887 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.3 mp -123.78 146.41 48.35 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -109.93 131.7 54.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.526 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -122.95 139.08 54.44 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -123.35 87.54 51.7 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.936 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.85 -168.06 0.47 Allowed 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.372 1.381 . . . . 0.0 111.917 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 71.6 mtm -56.25 -35.62 67.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.184 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.49 154.2 6.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.798 0.333 . . . . 0.0 110.732 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -80.96 12.09 3.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.72 157.07 33.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 O-C-N 122.166 -0.333 . . . . 0.0 110.166 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.01 152.24 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.24 145.51 46.01 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -122.09 126.98 49.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -116.95 126.14 52.5 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.839 0.712 . . . . 0.0 109.454 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.8 t -143.08 148.07 36.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.0 111.395 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -115.98 122.3 44.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.625 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -117.85 138.06 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.177 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -125.56 138.69 53.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.2 m -130.42 145.91 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -116.32 120.56 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.489 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 76.2 mt -127.4 94.74 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 15.5 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.985 1.314 . . . . 0.0 114.414 -165.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.7 t 74.04 -8.81 1.36 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 45.7 t -104.68 134.32 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 118.538 0.608 . . . . 0.0 109.461 177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -103.34 123.3 46.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.598 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.97 133.07 62.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.07 132.02 8.94 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.478 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 31.0 m -126.43 136.18 52.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.066 0.46 . . . . 0.0 111.287 -176.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -107.34 121.89 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.527 HD11 ' ND2' ' A' ' 25' ' ' ASN . 18.9 tt -127.27 137.19 58.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.084 0.468 . . . . 0.0 111.405 -173.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -143.02 139.09 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.831 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.48 169.75 26.97 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.251 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.9 t -137.44 144.99 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -145.62 168.21 27.42 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.685 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -134.09 143.15 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.553 0.216 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -103.51 141.54 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.752 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.557 179.255 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p -123.89 141.2 52.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.37 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -128.49 151.51 49.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.222 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.492 HG21 HH21 ' A' ' 29' ' ' ARG . 34.2 m -130.34 133.19 46.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.475 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.71 128.43 71.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.725 HG22 ' HA3' ' A' ' 145' ' ' GLY . 30.1 p -131.39 158.53 40.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 0.0 110.796 -177.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 150.8 23.06 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 171.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.38 170.06 33.37 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.112 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -118.86 143.91 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.15 144.43 38.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -123.09 140.04 53.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -122.35 141.41 51.59 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.007 -174.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -107.46 136.95 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.66 107.93 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.171 0.51 . . . . 0.0 110.677 -174.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -79.27 121.98 25.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.496 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.65 -14.51 64.75 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 112.695 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -116.44 146.05 42.82 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.774 0.787 . . . . 0.0 109.48 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.4 mtt -86.56 160.48 18.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 m120 66.93 135.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.812 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -85.16 162.17 19.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.2 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 84.5 mtp -115.96 150.1 37.71 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.446 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.72 138.15 9.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.735 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -151.81 168.16 31.12 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.273 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.97 150.25 41.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -133.66 137.65 45.48 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.144 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' THR . 14.2 tp -124.18 135.88 53.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 40' ' ' ILE . 36.3 mtmm -130.58 142.6 50.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.697 -174.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.064 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.492 HH21 HG21 ' A' ' 4' ' ' THR . 71.0 mtm180 -130.36 140.11 50.63 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.767 0.318 . . . . 0.0 111.217 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -127.21 142.01 51.59 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.99 146.13 52.28 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.11 146.53 24.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.149 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -71.38 -45.16 63.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -104.19 -13.31 16.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -147.26 75.57 11.46 Favored Pre-proline 0 C--O 1.234 0.283 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.06 134.4 19.47 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.716 0.944 . . . . 0.0 113.294 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.2 mt -126.15 135.28 51.47 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.701 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.84 116.66 5.17 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -174.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.5 t -124.01 130.82 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.594 HD11 ' HD2' ' A' ' 27' ' ' LYS . 12.8 tt -126.61 132.12 70.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.803 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.93 129.94 8.04 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 m -125.46 137.14 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.966 0.412 . . . . 0.0 111.219 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -113.58 122.84 48.43 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 t -119.74 135.8 54.7 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.635 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -129.97 124.63 33.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.391 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.735 HG22 ' HA3' ' A' ' 23' ' ' GLY . 64.3 p -129.27 154.73 46.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -134.3 155.13 50.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.318 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -134.67 132.93 39.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.156 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -115.22 136.31 53.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -140.14 156.99 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -124.93 135.55 52.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.365 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.99 147.31 51.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -60.29 -36.65 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -55.76 -35.4 66.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.34 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.11 21.1 47.07 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.75 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -82.0 120.63 25.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.494 0.647 . . . . 0.0 110.182 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -111.51 134.47 53.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.98 0.419 . . . . 0.0 110.798 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 -146.54 -178.03 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.255 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -130.83 121.93 26.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.605 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -125.75 136.19 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.794 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -134.62 150.81 50.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.696 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 131.03 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.895 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.79 150.39 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 137.25 8.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 -174.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.94 125.84 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HA3' ' A' ' 84' ' ' GLY . 75.4 p -130.81 160.0 35.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.147 0.499 . . . . 0.0 111.445 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.59 146.32 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.255 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.596 ' HA3' HG12 ' A' ' 82' ' ' VAL . . . -150.66 138.41 6.65 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.659 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.29 163.11 35.31 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 CA-C-N 119.888 1.844 . . . . 0.0 111.465 167.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.701 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -125.66 154.19 42.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.54 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.99 130.14 53.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.042 -177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -90.72 132.49 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.442 0.464 . . . . 0.0 110.184 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 74' ' ' ASN . 73.4 mt -122.44 158.33 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.515 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.426 ' N ' HG22 ' A' ' 73' ' ' ILE . 85.7 m-20 -49.46 -35.03 18.31 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.673 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -72.47 144.54 48.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 173.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -51.97 -34.38 42.07 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 144.36 56.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 111.164 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -121.29 151.08 40.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.429 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.2 pt -125.54 151.92 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.419 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -146.63 159.09 43.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.895 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.96 145.68 17.65 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG12 ' HA3' ' A' ' 68' ' ' GLY . 27.1 m -134.91 151.14 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 111.413 -171.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.612 HG22 ' HD2' ' A' ' 109' ' ' TYR . 40.7 t -131.3 153.67 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.658 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -164.96 178.67 39.96 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 119.896 -1.145 . . . . 0.0 112.328 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.12 138.33 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -119.62 140.74 15.05 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -122.74 133.17 54.49 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.54 130.59 9.33 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -137.0 141.04 42.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -120.56 156.04 32.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.195 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -113.18 132.66 55.4 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.074 0.464 . . . . 0.0 111.47 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 p -136.98 173.0 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.678 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.6 m -98.72 125.75 44.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 176.51 149.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.442 -171.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -80.43 139.61 51.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.9 134.46 50.08 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 120.81 1.007 . . . . 0.0 113.239 -165.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.3 m -118.46 151.38 37.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.366 172.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -97.65 121.57 39.7 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.115 176.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -114.35 147.41 39.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.791 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.93 -45.39 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 173.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -139.67 160.2 40.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.827 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 103' ' ' SER . 6.9 t -174.73 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 102' ' ' THR . 31.1 t -74.57 151.37 39.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.648 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.89 123.97 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -113.09 138.38 50.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.715 0.293 . . . . 0.0 111.034 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.07 160.17 25.74 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.11 143.65 43.99 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.3 t -131.11 139.42 49.84 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.612 ' HD2' HG22 ' A' ' 83' ' ' VAL . 58.9 m-85 -137.35 142.86 41.8 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.43 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -170.96 -177.87 41.14 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.21 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.54 159.05 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.34 158.46 27.49 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.465 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 tt -125.48 136.81 53.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.469 HE21 ' HB1' ' A' ' 122' ' ' ALA . 61.3 tp60 -109.84 129.26 55.66 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.316 0.385 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.96 141.69 51.65 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -119.52 83.0 26.21 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.103 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -61.88 -41.01 40.17 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.274 1.316 . . . . 0.0 110.966 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.1 mtt -126.22 157.8 37.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.843 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.53 -37.32 83.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -97.05 3.42 51.87 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.5 t -132.9 134.36 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 118.247 0.476 . . . . 0.0 110.566 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.618 ' C ' HD22 ' A' ' 123' ' ' LEU . . . -140.77 151.69 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.143 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 122' ' ' ALA . 4.5 mm? -121.92 143.28 49.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.45 127.12 43.55 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.402 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.77 133.04 54.92 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.2 t -143.07 143.54 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 111.338 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -115.22 123.27 48.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.443 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -124.29 138.13 54.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.345 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -116.77 139.97 49.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.8 t -132.8 141.0 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.916 0.388 . . . . 0.0 111.047 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -113.49 117.83 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.292 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.42 94.91 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 15.24 95.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -165.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 p 73.45 -7.53 1.53 Allowed 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 170.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.6 t -103.94 133.54 47.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 118.552 0.615 . . . . 0.0 109.585 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -104.05 121.23 42.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.665 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.14 133.12 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.659 0.266 . . . . 0.0 110.378 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.16 127.45 6.97 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 34.6 m -123.21 134.98 54.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.195 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -114.29 121.92 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.2 tt -126.44 138.44 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.051 0.453 . . . . 0.0 111.03 -175.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.96 140.8 34.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.744 175.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.42 175.48 30.26 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.911 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.97 149.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.725 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -151.19 177.43 29.17 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.717 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -135.04 143.24 46.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.578 -0.311 . . . . 0.0 110.375 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -106.74 140.15 40.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.858 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.4 m -122.99 140.98 52.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.244 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.19 146.0 48.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.147 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.0 p -130.4 133.37 46.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.055 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.62 132.48 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.758 HG22 ' HA3' ' A' ' 145' ' ' GLY . 19.8 p -136.32 165.45 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.23 0.538 . . . . 0.0 110.704 -176.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' HA2' HD23 ' A' ' 26' ' ' LEU . . . -152.51 150.73 22.59 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 171.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.13 170.02 34.86 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.842 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -128.73 144.23 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.213 -0.493 . . . . 0.0 109.938 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 141' ' ' ILE . . . -139.28 147.2 41.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -115.2 140.06 49.41 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.9 m -120.6 139.56 52.79 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.25 -173.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.19 125.26 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.92 107.85 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.344 0.593 . . . . 0.0 110.117 -175.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -85.01 121.93 28.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.42 -14.32 60.92 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.708 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -116.23 174.08 6.25 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 117.715 0.758 . . . . 0.0 110.118 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.8 mtp -94.57 153.66 17.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.437 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 124.282 0.989 . . . . 0.0 113.13 176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -108.82 162.13 14.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.849 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mtm -117.97 159.4 23.23 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.79 141.49 11.99 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.718 ' HA3' HG22 ' A' ' 46' ' ' THR . . . -154.22 168.05 32.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.923 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.19 155.11 45.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -143.97 150.19 37.93 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.789 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA2' ' A' ' 7' ' ' GLY . 74.6 mt -123.78 140.5 52.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.402 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -120.92 142.38 49.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.2 0.524 . . . . 0.0 111.474 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -121.98 139.12 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.603 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -129.98 140.24 50.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 111.673 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -122.73 134.73 54.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.269 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -126.93 146.18 50.4 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.798 0.333 . . . . 0.0 111.115 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.62 140.45 32.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.32 178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -67.59 -44.86 77.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -102.27 -13.27 17.44 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -147.15 73.88 11.96 Favored Pre-proline 0 C--O 1.235 0.308 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -59.89 134.51 57.33 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 120.907 1.071 . . . . 0.0 112.896 -170.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.3 135.2 51.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.271 172.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -92.73 116.85 5.21 Favored Glycine 0 C--N 1.334 0.427 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.98 130.76 74.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.43 130.83 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.81 129.88 6.74 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -128.06 137.1 52.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.259 -175.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -114.32 122.63 47.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.2 m -121.81 137.69 54.67 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.859 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -123.81 129.94 51.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.343 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.718 HG22 ' HA3' ' A' ' 23' ' ' GLY . 71.6 p -128.05 153.6 46.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.422 -178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -130.49 147.15 52.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.776 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -124.46 132.13 53.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 t -114.55 138.68 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -134.44 144.13 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -116.3 135.65 53.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.388 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.08 155.51 46.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.472 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 m -57.42 -37.33 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.002 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 86.2 p -60.53 -32.53 71.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.601 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.14 21.01 56.34 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.814 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -82.61 169.3 16.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 117.538 0.669 . . . . 0.0 110.668 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -118.41 132.1 56.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -115.06 130.27 56.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -89.73 116.55 27.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.625 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -128.07 128.49 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.103 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -137.66 143.85 41.56 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -141.81 138.25 32.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.289 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -135.98 151.32 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.96 137.31 6.84 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.49 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.02 140.19 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.509 HG22 ' HA3' ' A' ' 84' ' ' GLY . 81.1 p -133.43 161.12 35.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.098 0.475 . . . . 0.0 111.508 -176.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.07 144.98 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.084 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 159.64 31.36 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 119.614 -1.279 . . . . 0.0 114.122 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -75.31 163.15 35.19 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.231 1.954 . . . . 0.0 113.016 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -148.16 154.99 40.88 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.466 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -118.25 129.58 55.56 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -114.02 138.17 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.614 0.572 . . . . 0.0 110.732 -176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 73' ' ' ILE . 41.7 mm 63.24 49.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.673 0.749 . . . . 0.0 109.877 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -82.8 178.0 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.571 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.49 -37.79 63.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.746 0.307 . . . . 0.0 111.131 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -135.74 106.57 6.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 176.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 52.99 -172.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.368 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -110.73 151.1 28.15 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.9 tt -137.68 151.81 26.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.348 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -147.08 154.87 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.973 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -139.28 145.66 16.95 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 174.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.14 157.27 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 117.223 0.511 . . . . 0.0 111.608 -173.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 109' ' ' TYR . 41.1 t -129.98 153.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 172.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 66' ' ' THR . . . -163.56 179.53 38.57 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.28 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.27 143.51 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.11 153.69 20.85 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -128.05 145.49 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 156.22 26.33 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.805 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -140.06 140.87 36.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.183 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.44 156.06 44.55 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.256 0.348 . . . . 0.0 110.959 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -106.18 127.69 53.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.403 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.5 t -145.06 170.47 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.9 m -98.85 125.96 44.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -178.64 149.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.017 -173.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -80.54 147.06 62.54 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.76 134.56 64.77 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 120.75 0.967 . . . . 0.0 112.753 -167.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.6 p -118.41 157.25 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.609 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -96.87 121.64 38.96 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.051 176.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -114.21 148.08 37.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.884 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -56.96 -38.67 73.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.71 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -131.96 138.88 48.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.419 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.3 m -57.27 -39.48 75.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.0 p -104.29 159.34 15.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.475 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -95.93 128.16 42.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -128.65 155.73 44.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.077 0.465 . . . . 0.0 111.515 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.07 169.54 30.12 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -113.13 147.09 38.05 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -134.17 141.04 46.93 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.102 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.643 ' HD1' HG22 ' A' ' 83' ' ' VAL . 43.6 m-85 -135.45 144.48 46.47 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -169.04 175.55 43.41 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 119.88 -1.153 . . . . 0.0 112.565 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.95 157.36 43.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.07 164.84 28.93 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.507 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 113' ' ' LEU . 5.5 mp -122.05 144.09 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -114.34 129.59 56.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.302 0.376 . . . . 0.0 110.413 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -122.99 151.56 41.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.184 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -117.5 83.53 17.14 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.389 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.02 -64.96 0.16 Allowed 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.39 1.394 . . . . 0.0 112.315 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 85.6 mtp -95.23 -73.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.94 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -174.94 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.815 0.341 . . . . 0.0 110.985 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -83.71 5.06 26.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p -132.78 141.01 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 118.077 0.399 . . . . 0.0 109.983 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.62 152.71 51.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.6 142.57 46.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.398 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -127.37 127.22 43.85 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.516 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -122.91 131.93 53.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.576 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.2 t -143.02 147.61 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.96 0.41 . . . . 0.0 111.423 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.531 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -114.54 136.5 52.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -175.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -122.52 130.0 52.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 t -131.49 143.74 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -117.52 119.97 36.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.253 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 78.0 mt -127.4 94.88 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 14.88 95.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -164.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 p 74.4 -9.14 1.34 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.15 134.02 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 CA-C-N 118.569 0.622 . . . . 0.0 109.583 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.0 129.83 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -121.03 122.28 5.14 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 32.1 m -123.78 134.62 53.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.017 0.437 . . . . 0.0 111.553 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -110.59 127.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 10' ' ' ALA . 13.8 tt -130.14 141.54 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.052 0.454 . . . . 0.0 111.527 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -141.76 145.06 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.9 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.95 30.63 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.951 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -128.49 154.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.758 ' HA3' HG22 ' A' ' 6' ' ' THR . . . -141.01 151.33 22.43 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.9 143.04 50.78 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -117.28 144.91 44.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.913 179.143 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 m -122.47 141.02 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -126.87 142.0 51.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.216 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m -130.52 133.16 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.06 128.83 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.65 HG23 ' C ' ' A' ' 144' ' ' VAL . 8.7 m -133.27 145.99 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.379 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.67 150.85 20.0 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.83 170.04 34.7 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.145 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -131.13 144.1 51.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.952 -0.624 . . . . 0.0 109.966 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB1' HG22 ' A' ' 139' ' ' THR . . . -139.2 149.35 44.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.185 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -116.68 140.08 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 m -122.47 138.45 54.55 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.95 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -115.51 127.01 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -111.09 107.89 17.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.313 0.578 . . . . 0.0 110.242 -174.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -70.36 122.0 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.414 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.93 -14.37 60.16 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 124.209 0.943 . . . . 0.0 112.703 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 99.1 mm-40 -116.42 162.05 18.15 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 117.811 0.805 . . . . 0.0 110.145 173.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 65.8 mtt -102.06 162.75 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 111.183 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 68.59 133.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.999 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -79.97 154.39 28.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.022 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.4 mtm -119.3 153.92 34.31 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.24 136.11 8.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 164.21 28.2 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.893 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.74 156.25 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.535 ' ND2' HD11 ' A' ' 141' ' ' ILE . 40.0 p-10 -141.82 150.09 41.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.93 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.88 142.12 51.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.731 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -127.04 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.176 0.512 . . . . 0.0 111.817 -169.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -122.08 139.11 54.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -132.31 140.11 48.45 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 123.239 0.337 . . . . 0.0 111.048 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -125.13 141.98 51.78 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.474 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -122.6 145.12 48.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.948 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -100.72 141.89 32.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.213 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.96 -45.29 51.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -173.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -104.01 -13.33 16.35 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.6 m -147.16 80.92 9.13 Favored Pre-proline 0 C--O 1.234 0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -59.94 134.21 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 120.723 0.948 . . . . 0.0 112.531 -168.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.4 mt -126.4 135.24 51.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.654 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 70' ' ' ALA . . . -95.82 116.73 5.48 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.2 130.8 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -126.72 130.94 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.18 129.9 6.67 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 p -128.27 137.21 51.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 111.248 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -107.01 123.58 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -117.35 135.2 54.03 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.043 -173.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.07 124.5 44.09 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -122.46 141.64 51.41 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.322 0.389 . . . . 0.0 110.45 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -128.91 146.34 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.381 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -101.12 138.05 38.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.206 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.1 t -87.89 137.46 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.014 0.435 . . . . 0.0 110.549 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -69.98 143.67 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.081 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 p -127.23 148.1 50.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.099 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.71 47.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.666 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 p 179.82 -70.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.379 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 m -61.24 -36.63 80.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.315 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 20.98 52.18 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.697 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -123.03 135.71 54.55 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.508 0.654 . . . . 0.0 110.243 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.6 124.85 26.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.678 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -139.07 119.95 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.347 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -128.39 123.13 33.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -128.01 131.56 49.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -122.46 143.89 49.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -124.67 137.34 54.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.762 0.315 . . . . 0.0 111.268 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -127.25 133.95 50.14 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.42 137.16 9.31 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.112 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mm -115.95 128.22 73.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.5 p -134.99 161.11 36.21 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.956 0.408 . . . . 0.0 111.299 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -154.95 147.47 24.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.417 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.93 134.43 4.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.644 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.36 163.19 35.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 CA-C-N 120.182 1.991 . . . . 0.0 111.99 168.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.768 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . . . -132.5 155.0 49.37 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.77 130.07 53.14 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -176.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -107.5 131.57 54.17 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.559 0.537 . . . . 0.0 110.3 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 74' ' ' ASN . 73.8 mt -124.0 159.69 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.44 ' N ' HG22 ' A' ' 73' ' ' ILE . 26.5 m120 -47.08 -32.04 3.82 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -71.27 137.82 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -51.14 -32.14 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.13 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.303 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 t -124.05 151.01 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.653 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.0 mt -125.2 151.8 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -148.12 159.04 44.34 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.177 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.83 145.7 17.64 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.3 t -137.56 146.0 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.776 -170.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.44 154.12 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 173.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.08 -172.93 37.77 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.848 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -133.76 142.88 40.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.01 140.41 12.35 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -119.39 137.15 53.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.89 136.03 12.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -128.12 141.17 51.57 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 124.081 0.518 . . . . 0.0 109.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -131.3 155.95 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.627 0.251 . . . . 0.0 110.353 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -107.12 119.89 40.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.776 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 93' ' ' THR . 36.3 m -145.08 158.97 43.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.984 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 92' ' ' THR . 45.7 m -98.91 125.75 44.41 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 174.81 149.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.392 -171.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -80.46 114.91 51.28 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.02 134.85 20.19 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.041 1.161 . . . . 0.0 114.22 -162.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 p -118.2 155.26 30.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.374 168.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -138.07 128.01 25.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.12 0.486 . . . . 0.0 111.985 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -114.06 121.93 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.244 172.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.2 t60 60.44 -84.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.818 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -130.23 122.95 29.05 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.058 -0.401 . . . . 0.0 110.387 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.3 m -61.14 -42.22 98.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.157 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.9 p -75.5 158.69 32.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.804 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -95.94 123.32 39.48 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -121.88 144.78 48.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.979 0.418 . . . . 0.0 111.342 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.22 160.77 25.94 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -113.0 137.84 50.79 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.5 m -130.35 144.64 51.51 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.891 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -151.19 159.99 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.45 46.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.37 159.29 42.45 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.88 163.96 28.85 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.841 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -127.55 147.95 50.34 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.349 -0.426 . . . . 0.0 109.978 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -109.93 130.53 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.252 0.345 . . . . 0.0 110.148 178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.02 156.61 34.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.781 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.31 74.66 0.35 Allowed Pre-proline 0 CA--C 1.534 0.359 0 O-C-N 123.705 0.628 . . . . 0.0 110.719 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -86.19 -52.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 121.704 1.602 . . . . 0.0 112.177 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.9 mmm -57.42 -38.76 74.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.54 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -59.75 154.18 18.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -80.78 6.02 14.18 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 146' ' ' TYR . 35.6 m -132.51 140.82 46.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -114.99 143.27 45.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.365 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 123' ' ' LEU . 2.6 mm? -112.25 137.13 50.79 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -121.24 126.89 50.71 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.039 -0.265 . . . . 0.0 110.287 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -122.93 132.66 54.26 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.4 t -143.07 148.81 37.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 111.371 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -110.82 118.69 36.82 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -119.37 134.8 55.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 111.385 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -124.39 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.447 174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -131.32 137.53 48.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.663 0.268 . . . . 0.0 110.323 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -119.36 128.73 54.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.776 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 83.3 mt -127.27 106.14 14.86 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.454 0 N-CA-C 105.227 -2.138 . . . . 0.0 105.227 168.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -43.8 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.261 0.976 . . . . 0.0 113.352 -158.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 p 149.7 -51.87 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 112.905 -1.952 . . . . 0.0 109.179 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.9 t -109.36 135.13 49.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -171.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -104.19 119.93 40.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.92 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.7 t -114.63 133.25 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.499 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -120.99 130.89 8.43 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.497 HG22 ' HB1' ' A' ' 10' ' ' ALA . 33.5 m -128.03 135.87 50.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.437 . . . . 0.0 111.419 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -108.44 123.2 48.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.535 HD11 ' ND2' ' A' ' 25' ' ' ASN . 16.6 tt -128.56 137.64 56.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.141 -175.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -150.96 172.42 30.61 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.033 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.65 ' C ' HG23 ' A' ' 6' ' ' THR . 44.6 t -134.46 144.91 33.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.94 161.44 26.75 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.905 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 121' ' ' VAL . 82.5 m-85 -126.35 143.12 51.28 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -112.38 140.47 47.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.001 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.815 -1.088 . . . . 0.0 110.567 179.404 . . . . . . . . 0 0 . 1 stop_ save_